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

Systemtic Name: methyl 2-[[3,5-dimethyl-4-(propylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[3,5-dimethyl-4-(propylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[3,5-dimethyl-4-[[propylamino(sulfanylidene)methyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3,5-dimethyl-4-(propylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[3,5-dimethyl-4-(propylthiocarbamoylamino)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-5-10-19-18(25)20-16-12(2)21-22(13(16)3)11-14-8-6-7-9-15(14)17(23)24-4/h6-9H,5,10-11H2,1-4H3,(H2,19,20,25)