6-methyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-methyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-methyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-methyl-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-methyl-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-methyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H20N2OS MolecularWeight: 372.4827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)SC4=CC=CC=C14

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)SC4=CC=CC=C14

InChI

InChI=1S/C23H20N2OS/c1-16-19-9-5-6-10-21(19)27-22-12-11-18(15-20(22)25-16)23(26)24-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,24,26)