dimethyl 3-[4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2,5-dimethoxyphenyl)thiocarbamoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C19H24N4O6S/c1-26-14-5-6-16(27-2)15(9-14)22-19(30)21-12-10-20-23(11-12)13(7-17(24)28-3)8-18(25)29-4/h5-6,9-11,13H,7-8H2,1-4H3,(H2,21,22,30)