4-[(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(6-ethyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(6-ethyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(6-ethyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(6-ethyl-4-keto-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-3-nitro-benzamide Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4S2/c1-2-18-13-19-22(34-18)26-24(27(23(19)30)11-10-15-6-4-3-5-7-15)33-14-17-9-8-16(21(25)29)12-20(17)28(31)32/h3-9,12-13H,2,10-11,14H2,1H3,(H2,25,29)