6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(3-methyl-2-thienyl)-N-[2-(3-pyridyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(3-methyl-2-thiophenyl)-N-[2-(3-pyridinyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(3-methyl-2-thienyl)-N-[2-(3-pyridyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H21N3OS2 MolecularWeight: 455.59444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC3=C(C=CC(=C3)C(=O)NCCC4=CN=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

CC1=C(SC=C1)C2=NC3=C(C=CC(=C3)C(=O)NCCC4=CN=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C26H21N3OS2/c1-17-11-14-31-25(17)24-20-6-2-3-7-22(20)32-23-9-8-19(15-21(23)29-24)26(30)28-13-10-18-5-4-12-27-16-18/h2-9,11-12,14-16H,10,13H2,1H3,(H,28,30)