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

Systemtic Name: 3-[(3,4-dichlorophenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 3-[(3,4-dichlorophenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 3-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 3-[(3,4-dichlorophenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[(3,4-dichlorophenyl)thiocarbamoylamino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C25H21Cl2N5O2S MolecularWeight: 526.43754

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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(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H21Cl2N5O2S/c1-15-22(24(34)32(31(15)2)19-9-4-3-5-10-19)30-23(33)16-7-6-8-17(13-16)28-25(35)29-18-11-12-20(26)21(27)14-18/h3-14H,1-2H3,(H,30,33)(H2,28,29,35)