N-[(2-chlorophenyl)methyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21ClN2OS MolecularWeight: 420.95434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C24H21ClN2OS/c1-3-20-18-12-15(2)8-10-22(18)29-23-11-9-16(13-21(23)27-20)24(28)26-14-17-6-4-5-7-19(17)25/h4-13H,3,14H2,1-2H3,(H,26,28)