5-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[3-(dimethylamino)propyl]-3-hydroxy-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[3-(dimethylamino)propyl]-3-hydroxy-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[3-(dimethylamino)propyl]-3-hydroxy-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-[3-(dimethylamino)propyl]-3-hydroxy-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCCN(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCCN(C)C)O

InChI

InChI=1S/C21H26N2O2S/c1-15-9-11-16(12-10-15)20-19(24)21(25)23(14-6-13-22(2)3)17-7-4-5-8-18(17)26-20/h4-5,7-12,19-20,24H,6,13-14H2,1-3H3