N-[(4-chlorophenyl)methyl]-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6,8-dimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H19ClN2OS MolecularWeight: 406.92776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)N=C2C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)N=C2C

InChI

InChI=1S/C23H19ClN2OS/c1-14-3-9-21-19(11-14)15(2)26-20-12-17(6-10-22(20)28-21)23(27)25-13-16-4-7-18(24)8-5-16/h3-12H,13H2,1-2H3,(H,25,27)