methyl 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(1-homoveratrylpyrazol-4-yl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=S)NC3=C(SC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=S)NC3=C(SC=C3)C(=O)OC)OC

InChI

InChI=1S/C20H22N4O4S2/c1-26-16-5-4-13(10-17(16)27-2)6-8-24-12-14(11-21-24)22-20(29)23-15-7-9-30-18(15)19(25)28-3/h4-5,7,9-12H,6,8H2,1-3H3,(H2,22,23,29)