3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(phenylcarbamoylamino)-2-sulfanylidene-1,3-thiazole-5-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(phenylcarbamoylamino)-2-sulfanylidene-1,3-thiazole-5-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(phenylcarbamoylamino)-2-thioxo-thiazole-5-carboxamide CAS Name: 4-[[anilino(oxo)methyl]amino]-3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-sulfanylidene-5-thiazolecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(phenylcarbamoylamino)-2-sulfanylidene-1,3-thiazole-5-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-(phenylcarbamoylamino)-2-thioxo-4-thiazoline-5-carboxamide Formula: C28H23ClN6O3S2 MolecularWeight: 591.10362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)NC(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H23ClN6O3S2/c1-17-22(26(37)35(33(17)2)21-11-7-4-8-12-21)31-25(36)23-24(32-27(38)30-19-9-5-3-6-10-19)34(28(39)40-23)20-15-13-18(29)14-16-20/h3-16H,1-2H3,(H,31,36)(H2,30,32,38)