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

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[3-[4-(4-methoxyphenyl)piperazino]propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C24H30N4O3S/c1-31-20-6-4-19(5-7-20)28-14-12-27(13-15-28)11-2-10-25-24(30)18-3-8-22-21(17-18)26-23(29)9-16-32-22/h3-8,17H,2,9-16H2,1H3,(H,25,30)(H,26,29)