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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(phenylmethyl)carbamothioylamino]benzamide Openeye Name: 3-(benzylcarbamothioylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 3-(benzylcarbamothioylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-(benzylthiocarbamoylamino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C26H25N5O2S MolecularWeight: 471.574

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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)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O2S/c1-18-23(25(33)31(30(18)2)22-14-7-4-8-15-22)29-24(32)20-12-9-13-21(16-20)28-26(34)27-17-19-10-5-3-6-11-19/h3-16H,17H2,1-2H3,(H,29,32)(H2,27,28,34)