methyl 6-(4-benzamidophenyl)-3,4-diethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(4-benzamidophenyl)-3,4-diethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(4-benzamidophenyl)-3,4-diethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-benzamidophenyl)-3,4-diethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-benzamidophenyl)-3,4-diethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-benzamidophenyl)-3,4-diethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1CC)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C(NC(=S)N1CC)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O3S/c1-4-18-19(22(28)29-3)20(25-23(30)26(18)5-2)15-11-13-17(14-12-15)24-21(27)16-9-7-6-8-10-16/h6-14,20H,4-5H2,1-3H3,(H,24,27)(H,25,30)