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

Systemtic Name: N-cyclopentyl-6-(3-methylthiophen-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclopentyl-6-(3-methyl-2-thienyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopentyl-6-(3-methyl-2-thiophenyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopentyl-6-(3-methylthiophen-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclopentyl-6-(3-methyl-2-thienyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H22N2OS2 MolecularWeight: 418.57428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C52

Isomeric SMILES

CC1=C(SC=C1)C2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C52

InChI

InChI=1S/C24H22N2OS2/c1-15-12-13-28-23(15)22-18-8-4-5-9-20(18)29-21-11-10-16(14-19(21)26-22)24(27)25-17-6-2-3-7-17/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,25,27)