3-[(2-chlorophenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide

Systemtic Name: 3-[(2-chlorophenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 3-[(2-chlorophenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 3-[[(2-chloroanilino)-sulfanylidenemethyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 3-[(2-chlorophenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[(2-chlorophenyl)thiocarbamoylamino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C25H22ClN5O2S MolecularWeight: 491.99248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CC=CC=C4Cl

InChI

InChI=1S/C25H22ClN5O2S/c1-16-22(24(33)31(30(16)2)19-11-4-3-5-12-19)29-23(32)17-9-8-10-18(15-17)27-25(34)28-21-14-7-6-13-20(21)26/h3-15H,1-2H3,(H,29,32)(H2,27,28,34)