6-ethyl-8-methyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethyl-8-methyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-8-methyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C25H24N2OS/c1-3-21-20-15-17(2)9-11-23(20)29-24-12-10-19(16-22(24)27-21)25(28)26-14-13-18-7-5-4-6-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H,26,28)