4-[[5-(3,4-dimethylphenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(3,4-dimethylphenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(3,4-dimethylphenyl)-3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(3,4-dimethylphenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(3,4-dimethylphenyl)-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(3,4-dimethylphenyl)-4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C23H20N4O4S2 MolecularWeight: 480.5593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H20N4O4S2/c1-12-4-5-14(8-13(12)2)17-11-32-21-19(17)22(29)26(3)23(25-21)33-10-16-7-6-15(20(24)28)9-18(16)27(30)31/h4-9,11H,10H2,1-3H3,(H2,24,28)