methyl 3-(3,4-dimethylphenyl)-4-propyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(3,4-dimethylphenyl)-4-propyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(3,4-dimethylphenyl)-4-propyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-4-propyl-2-sulfanylidene-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethylphenyl)-4-propyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-4-propyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC(=C(C=C2)C)C)C3=CSC=C3)C(=O)OC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C2=CC(=C(C=C2)C)C)C3=CSC=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O2S2/c1-5-6-17-18(20(24)25-4)19(15-9-10-27-12-15)22-21(26)23(17)16-8-7-13(2)14(3)11-16/h7-12,19H,5-6H2,1-4H3,(H,22,26)