2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester (CHEBI:107052)

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ChEBI Name	2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester

ChEBI ID	CHEBI:107052

Stars	This entity has been manually annotated by a third party.

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Formulae

C18H23N3O5S
C18H23N3O5S

Net Charge

Average Mass

393.459

Monoisotopic Mass

393.13584

InChI

InChI=1S/C18H23N3O5S/c1-11(2)26-15(22)10-14-17(24)19-8-9-21(14)18(27)20-16(23)12-4-6-13(25-3)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,24)(H,20,23,27)

InChIKey

PBWXEARLSDEMHR-UHFFFAOYSA-N

SMILES

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OC

ChEBI Ontology
Outgoing	2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester (CHEBI:107052) is a isopropyl ester (CHEBI:35725) 2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester (CHEBI:107052) is a piperazines (CHEBI:26144)

Last Modified

09 March 2018