N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H33ClN4OS MolecularWeight: 533.12722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)SC5=C1C=C(C=C5)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)SC5=C1C=C(C=C5)C

InChI

InChI=1S/C30H33ClN4OS/c1-3-26-25-18-21(2)8-10-28(25)37-29-11-9-22(19-27(29)33-26)30(36)32-12-5-13-34-14-16-35(17-15-34)24-7-4-6-23(31)20-24/h4,6-11,18-20H,3,5,12-17H2,1-2H3,(H,32,36)