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

Systemtic Name: 6-(3-methylthiophen-2-yl)-N-[(4-methylthiophen-2-yl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(3-methyl-2-thienyl)-N-[(4-methyl-2-thienyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(3-methyl-2-thiophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(3-methylthiophen-2-yl)-N-[(4-methylthiophen-2-yl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(3-methyl-2-thienyl)-N-[(4-methyl-2-thienyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H20N2OS3 MolecularWeight: 460.6341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC(=CS4)C)SC5=CC=CC=C52

Isomeric SMILES

CC1=C(SC=C1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC(=CS4)C)SC5=CC=CC=C52

InChI

InChI=1S/C25H20N2OS3/c1-15-11-18(30-14-15)13-26-25(28)17-7-8-22-20(12-17)27-23(24-16(2)9-10-29-24)19-5-3-4-6-21(19)31-22/h3-12,14H,13H2,1-2H3,(H,26,28)