(4S)-N-(3-chlorophenyl)-4-(4-imidazol-1-ylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-N-(3-chlorophenyl)-4-(4-imidazol-1-ylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-N-(3-chlorophenyl)-4-(4-imidazol-1-ylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-N-(3-chlorophenyl)-4-[4-(1-imidazolyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-N-(3-chlorophenyl)-4-(4-imidazol-1-ylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-N-(3-chlorophenyl)-4-(4-imidazol-1-ylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N3C=CN=C3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC=C(C=C2)N3C=CN=C3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5OS/c1-13-18(20(28)25-16-4-2-3-15(22)11-16)19(26-21(29)24-13)14-5-7-17(8-6-14)27-10-9-23-12-27/h2-12,19H,1H3,(H,25,28)(H2,24,26,29)/t19-/m0/s1