1-cyclopropyl-3-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]urea

Systemtic Name: 1-cyclopropyl-3-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]urea Openeye Name: 1-(5-benzyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-cyclopropyl-urea CAS Name: 1-cyclopropyl-3-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]urea IUPAC Name: 1-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-cyclopropylurea Traditional Name: 1-(5-benzyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-cyclopropyl-urea Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

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)