N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[3-[4-(m-tolyl)piperazino]propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C24H30N4O2S/c1-18-4-2-5-20(16-18)28-13-11-27(12-14-28)10-3-9-25-24(30)19-6-7-22-21(17-19)26-23(29)8-15-31-22/h2,4-7,16-17H,3,8-15H2,1H3,(H,25,30)(H,26,29)