(4S)-4-(2-chloranyl-6-fluoranyl-phenyl)-6-methyl-N-(2-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-(2-chloranyl-6-fluoranyl-phenyl)-6-methyl-N-(2-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(2-chloro-6-fluoro-phenyl)-N-(2-isopropylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(2-chloro-6-fluorophenyl)-6-methyl-N-(2-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(2-chloro-6-fluorophenyl)-6-methyl-N-(2-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(2-chloro-6-fluoro-phenyl)-6-methyl-N-o-cumenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=CC=C3C(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=CC=C3C(C)C

InChI

InChI=1S/C21H21ClFN3OS/c1-11(2)13-7-4-5-10-16(13)25-20(27)17-12(3)24-21(28)26-19(17)18-14(22)8-6-9-15(18)23/h4-11,19H,1-3H3,(H,25,27)(H2,24,26,28)/t19-/m0/s1