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

Systemtic Name: N-[(4-methylthiophen-2-yl)methyl]-6-thiophen-3-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(4-methyl-2-thienyl)methyl]-6-(3-thienyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-methyl-2-thiophenyl)methyl]-6-(3-thiophenyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(4-methylthiophen-2-yl)methyl]-6-thiophen-3-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[(4-methyl-2-thienyl)methyl]-6-(3-thienyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H18N2OS3 MolecularWeight: 446.60752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CSC=C5

Isomeric SMILES

CC1=CSC(=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CSC=C5

InChI

InChI=1S/C24H18N2OS3/c1-15-10-18(29-13-15)12-25-24(27)16-6-7-22-20(11-16)26-23(17-8-9-28-14-17)19-4-2-3-5-21(19)30-22/h2-11,13-14H,12H2,1H3,(H,25,27)