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

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]benzamide Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]benzamide CAS Name: 4-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzamide Traditional Name: 4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]benzamide Formula: C19H19N5O2S MolecularWeight: 381.45146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H19N5O2S/c1-12-16(18(26)24(23(12)2)15-6-4-3-5-7-15)22-19(27)21-14-10-8-13(9-11-14)17(20)25/h3-11H,1-2H3,(H2,20,25)(H2,21,22,27)