methyl 3,4-dimethyl-6-[3-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3,4-dimethyl-6-[3-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3,4-dimethyl-6-[3-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[(1-oxo-2-phenylbutyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-6-[3-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OC

InChI

InChI=1S/C24H27N3O3S/c1-5-19(16-10-7-6-8-11-16)22(28)25-18-13-9-12-17(14-18)21-20(23(29)30-4)15(2)27(3)24(31)26-21/h6-14,19,21H,5H2,1-4H3,(H,25,28)(H,26,31)