N-[(2-chlorophenyl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H17ClN2OS MolecularWeight: 392.90118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=CC=CC=C14

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=CC=CC=C14

InChI

InChI=1S/C22H17ClN2OS/c1-14-17-7-3-5-9-20(17)27-21-11-10-15(12-19(21)25-14)22(26)24-13-16-6-2-4-8-18(16)23/h2-12H,13H2,1H3,(H,24,26)