CHEBI:121774 - 1-cyclopropyl-3-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-cyclopropyl-3-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]urea
ChEBI ID CHEBI:121774
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H21N3O2S
Net Charge 0
Average Mass 415.509
Monoisotopic Mass 415.13545
InChI InChI=1S/C24H21N3O2S/c28-23-19-8-4-5-9-21(19)30-22-13-12-18(26-24(29)25-17-10-11-17)14-20(22)27(23)15-16-6-2-1-3-7-16/h1-9,12-14,17H,10-11,15H2,(H2,25,26,29)
InChIKey KHNSTLWEHCTSHA-UHFFFAOYSA-N
SMILES C1CC1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5
ChEBI Ontology
Outgoing 1-cyclopropyl-3-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]urea (CHEBI:121774) is a dibenzothiazepine (CHEBI:39268)
Manual Xref Database
LSM-33217 LINCS
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