propan-2-yl (6S)-3,4-dimethyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl (6S)-3,4-dimethyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6S)-3,4-dimethyl-6-[4-(propanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-[4-(1-oxopropylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-3,4-dimethyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3,4-dimethyl-6-(4-propionamidophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OC(C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)[C@H]2C(=C(N(C(=S)N2)C)C)C(=O)OC(C)C

InChI

InChI=1S/C19H25N3O3S/c1-6-15(23)20-14-9-7-13(8-10-14)17-16(18(24)25-11(2)3)12(4)22(5)19(26)21-17/h7-11,17H,6H2,1-5H3,(H,20,23)(H,21,26)/t17-/m0/s1