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

Systemtic Name: methyl 3-(4-chlorophenyl)-4-propyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(4-chlorophenyl)-4-propyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(4-chlorophenyl)-4-propyl-2-sulfanylidene-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-4-propyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-propyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C19H19ClN2O2S2 MolecularWeight: 406.94936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O2S2/c1-3-4-15-16(18(23)24-2)17(12-9-10-26-11-12)21-19(25)22(15)14-7-5-13(20)6-8-14/h5-11,17H,3-4H2,1-2H3,(H,21,25)