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

Systemtic Name: methyl (6R)-3,4-dimethyl-6-[3-(3-phenylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3,4-dimethyl-6-[3-(3-phenylpropanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-6-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3,4-dimethyl-6-[3-(3-phenylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[3-(hydrocinnamoylamino)phenyl]-3,4-dimethyl-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:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O3S/c1-15-20(22(28)29-3)21(25-23(30)26(15)2)17-10-7-11-18(14-17)24-19(27)13-12-16-8-5-4-6-9-16/h4-11,14,21H,12-13H2,1-3H3,(H,24,27)(H,25,30)/t21-/m1/s1