[4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(2-methoxy-5-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]pyrazol-1-yl]methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)COC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)COC(=O)C(C)(C)C

InChI

InChI=1S/C18H24N4O3S/c1-12-6-7-15(24-5)14(8-12)21-17(26)20-13-9-19-22(10-13)11-25-16(23)18(2,3)4/h6-10H,11H2,1-5H3,(H2,20,21,26)