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

Systemtic Name: methyl (6S)-3,4-dimethyl-6-[3-[(4-methylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3,4-dimethyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3,4-dimethyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3,4-dimethyl-6-[3-(p-toluoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)[C@H]3C(=C(N(C(=S)N3)C)C)C(=O)OC

InChI

InChI=1S/C22H23N3O3S/c1-13-8-10-15(11-9-13)20(26)23-17-7-5-6-16(12-17)19-18(21(27)28-4)14(2)25(3)22(29)24-19/h5-12,19H,1-4H3,(H,23,26)(H,24,29)/t19-/m0/s1