N-(3-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(m-tolyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(3-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(m-tolyl)acetamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3

InChI

InChI=1S/C21H18N4O4S2/c1-13-3-2-4-14(11-13)22-18(26)12-31-21-23-17-9-10-30-19(17)20(27)24(21)15-5-7-16(8-6-15)25(28)29/h2-8,11H,9-10,12H2,1H3,(H,22,26)