N-(4-ethylphenyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-ethylphenyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide CAS Name: N-(4-ethylphenyl)-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]propanamide IUPAC Name: N-(4-ethylphenyl)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(4-ethylphenyl)propionamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2CC=C

InChI

InChI=1S/C27H27N3O2S2/c1-5-15-30-26(32)23-22(20-11-7-17(3)8-12-20)16-33-25(23)29-27(30)34-18(4)24(31)28-21-13-9-19(6-2)10-14-21/h5,7-14,16,18H,1,6,15H2,2-4H3,(H,28,31)