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

Systemtic Name: methyl 2-[[4-(3-ethoxypropylcarbamothioylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(3-ethoxypropylcarbamothioylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(3-ethoxypropylamino)-sulfanylidenemethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-ethoxypropylcarbamothioylamino)-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-(3-ethoxypropylthiocarbamoylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-5-27-12-8-11-21-20(28)22-18-14(2)23-24(15(18)3)13-16-9-6-7-10-17(16)19(25)26-4/h6-7,9-10H,5,8,11-13H2,1-4H3,(H2,21,22,28)