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

Systemtic Name: N-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]phenyl]acetamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-13-18(19(27)25(24(13)3)17-7-5-4-6-8-17)23-20(28)22-16-11-9-15(10-12-16)21-14(2)26/h4-12H,1-3H3,(H,21,26)(H2,22,23,28)