N-[2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoyl]benzamide

Systemtic Name: N-[2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoyl]benzamide Openeye Name: N-[2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]benzamide CAS Name: N-[2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]benzamide Traditional Name: N-[2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]benzamide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC(=O)C4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC(=O)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C25H21N3O3S2/c1-3-13-28-24(31)21-19(17-11-9-16(2)10-12-17)14-32-23(21)27-25(28)33-15-20(29)26-22(30)18-7-5-4-6-8-18/h3-12,14H,1,13,15H2,2H3,(H,26,29,30)