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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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