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

Systemtic Name: ethyl 3,4-dimethyl-6-[4-[(4-methylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-6-[4-[(4-methylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-6-[4-[(4-methylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-(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=C(C=C2)NC(=O)C3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=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)16-10-12-18(13-11-16)24-21(27)17-8-6-14(2)7-9-17/h6-13,20H,5H2,1-4H3,(H,24,27)(H,25,30)