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

Systemtic Name: methyl 2-[[4-(3-methoxypropylcarbamothioylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(3-methoxypropylcarbamothioylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methoxypropylcarbamothioylamino)-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-(3-methoxypropylthiocarbamoylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=S)NCCCOC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=S)NCCCOC

InChI

InChI=1S/C19H26N4O3S/c1-13-17(21-19(27)20-10-7-11-25-3)14(2)23(22-13)12-15-8-5-6-9-16(15)18(24)26-4/h5-6,8-9H,7,10-12H2,1-4H3,(H2,20,21,27)