(6S)-N-(4-chlorophenyl)-6-(4-cyanophenyl)-4-methyl-3-propan-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6S)-N-(4-chlorophenyl)-6-(4-cyanophenyl)-4-methyl-3-propan-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6S)-N-(4-chlorophenyl)-6-(4-cyanophenyl)-3-isopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6S)-N-(4-chlorophenyl)-6-(4-cyanophenyl)-4-methyl-3-propan-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6S)-N-(4-chlorophenyl)-6-(4-cyanophenyl)-4-methyl-3-propan-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6S)-N-(4-chlorophenyl)-6-(4-cyanophenyl)-3-isopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C(C)C)C2=CC=C(C=C2)C#N)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C(C)C)C2=CC=C(C=C2)C#N)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN4OS/c1-13(2)27-14(3)19(21(28)25-18-10-8-17(23)9-11-18)20(26-22(27)29)16-6-4-15(12-24)5-7-16/h4-11,13,20H,1-3H3,(H,25,28)(H,26,29)/t20-/m0/s1