methyl 2-[[4-(butan-2-ylcarbamothioylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-(butan-2-ylcarbamothioylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[3,5-dimethyl-4-(sec-butylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(butan-2-ylcarbamothioylamino)-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[3,5-dimethyl-4-(sec-butylthiocarbamoylamino)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC1=C(N(N=C1C)CC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CCC(C)NC(=S)NC1=C(N(N=C1C)CC2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C19H26N4O2S/c1-6-12(2)20-19(26)21-17-13(3)22-23(14(17)4)11-15-9-7-8-10-16(15)18(24)25-5/h7-10,12H,6,11H2,1-5H3,(H2,20,21,26)