1-[(3R)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(3R)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[(3R)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[(3R)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(3R)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[(3R)-4-keto-5-methyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-3-(m-tolyl)urea Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CSC3=CC=CC=C3N(C2=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@H]2CSC3=CC=CC=C3N(C2=O)C

InChI

InChI=1S/C18H19N3O2S/c1-12-6-5-7-13(10-12)19-18(23)20-14-11-24-16-9-4-3-8-15(16)21(2)17(14)22/h3-10,14H,11H2,1-2H3,(H2,19,20,23)/t14-/m0/s1