3-nitro-4-[2-oxidanylidene-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thio]-3-nitro-benzamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1SC=C2)C3=CC=CC=C3)C(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C2=C1SC=C2)C3=CC=CC=C3)C(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S2/c23-22(27)15-6-7-19(17(12-15)25(28)29)31-13-20(26)24-10-8-18-16(9-11-30-18)21(24)14-4-2-1-3-5-14/h1-7,9,11-12,21H,8,10,13H2,(H2,23,27)