[4-[(4-ethoxy-4-oxidanylidene-butyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(4-ethoxy-4-oxidanylidene-butyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(4-ethoxy-4-oxo-butyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[[(4-ethoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(4-ethoxy-4-oxobutyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(4-ethoxy-4-keto-butyl)thiocarbamoylamino]pyrazol-1-yl]methyl ester Formula: C16H26N4O4S MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)COC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)COC(=O)C(C)(C)C

InChI

InChI=1S/C16H26N4O4S/c1-5-23-13(21)7-6-8-17-15(25)19-12-9-18-20(10-12)11-24-14(22)16(2,3)4/h9-10H,5-8,11H2,1-4H3,(H2,17,19,25)