ethyl (6R)-3,4-dimethyl-6-[3-[(4-methylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-3,4-dimethyl-6-[3-[(4-methylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3,4-dimethyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-6-[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3,4-dimethyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3,4-dimethyl-6-[3-(p-toluoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C23H25N3O3S/c1-5-29-22(28)19-15(3)26(4)23(30)25-20(19)17-7-6-8-18(13-17)24-21(27)16-11-9-14(2)10-12-16/h6-13,20H,5H2,1-4H3,(H,24,27)(H,25,30)/t20-/m1/s1