N-(4-methyl-2-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C22H18N4O4S3 MolecularWeight: 498.59772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S3/c1-3-8-25-21(28)19-14(17-5-4-9-31-17)11-32-20(19)24-22(25)33-12-18(27)23-15-7-6-13(2)10-16(15)26(29)30/h3-7,9-11H,1,8,12H2,2H3,(H,23,27)