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

Systemtic Name: 4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)NC1=O

InChI

InChI=1S/C27H28N4O2S/c32-26-12-17-34-25-11-6-21(18-24(25)29-26)27(33)28-22-7-9-23(10-8-22)31-15-13-30(14-16-31)19-20-4-2-1-3-5-20/h1-11,18H,12-17,19H2,(H,28,33)(H,29,32)