ethyl 4-[(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]carbamothioylamino]benzoate CAS Name: 4-[[[[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

InChI

InChI=1S/C19H26N4O2S/c1-5-25-17(24)14-7-9-15(10-8-14)21-18(26)22-16(19(2,3)4)13-23-12-6-11-20-23/h6-12,16H,5,13H2,1-4H3,(H2,21,22,26)