1-(1-methyl-2-oxidanylidene-5-phenyl-5H-4,1-benzothiazepin-3-yl)-3-(3-methylphenyl)urea

Systemtic Name: 1-(1-methyl-2-oxidanylidene-5-phenyl-5H-4,1-benzothiazepin-3-yl)-3-(3-methylphenyl)urea Openeye Name: 1-(1-methyl-2-oxo-5-phenyl-5H-4,1-benzothiazepin-3-yl)-3-(m-tolyl)urea CAS Name: 1-(1-methyl-2-oxo-5-phenyl-5H-4,1-benzothiazepin-3-yl)-3-(3-methylphenyl)urea IUPAC Name: 1-(1-methyl-2-oxo-5-phenyl-5H-4,1-benzothiazepin-3-yl)-3-(3-methylphenyl)urea Traditional Name: 1-(2-keto-1-methyl-5-phenyl-5H-4,1-benzothiazepin-3-yl)-3-(m-tolyl)urea Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(S2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(S2)C4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3O2S/c1-16-9-8-12-18(15-16)25-24(29)26-22-23(28)27(2)20-14-7-6-13-19(20)21(30-22)17-10-4-3-5-11-17/h3-15,21-22H,1-2H3,(H2,25,26,29)