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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)NC1=O

InChI

InChI=1S/C24H30N4O2S/c29-23-9-16-31-22-8-7-20(17-21(22)26-23)24(30)25-10-4-11-27-12-14-28(15-13-27)18-19-5-2-1-3-6-19/h1-3,5-8,17H,4,9-16,18H2,(H,25,30)(H,26,29)