6-(3-chlorophenyl)-N-(3-methylbutyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(3-chlorophenyl)-N-(3-methylbutyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(3-chlorophenyl)-N-isopentyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(3-chlorophenyl)-N-(3-methylbutyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(3-chlorophenyl)-N-(3-methylbutyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(3-chlorophenyl)-N-isoamyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H23ClN2OS MolecularWeight: 434.98092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H23ClN2OS/c1-16(2)12-13-27-25(29)18-10-11-23-21(15-18)28-24(17-6-5-7-19(26)14-17)20-8-3-4-9-22(20)30-23/h3-11,14-16H,12-13H2,1-2H3,(H,27,29)