(6S)-N-(3-chlorophenyl)-6-(4-imidazol-1-ylphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6S)-N-(3-chlorophenyl)-6-(4-imidazol-1-ylphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6S)-N-(3-chlorophenyl)-6-(4-imidazol-1-ylphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6S)-N-(3-chlorophenyl)-6-[4-(1-imidazolyl)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6S)-N-(3-chlorophenyl)-6-(4-imidazol-1-ylphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6S)-N-(3-chlorophenyl)-6-(4-imidazol-1-ylphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)N3C=CN=C3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C)C2=CC=C(C=C2)N3C=CN=C3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H20ClN5OS/c1-14-19(21(29)25-17-5-3-4-16(23)12-17)20(26-22(30)27(14)2)15-6-8-18(9-7-15)28-11-10-24-13-28/h3-13,20H,1-2H3,(H,25,29)(H,26,30)/t20-/m0/s1