methyl 2-[(1-ethyl-5-methyl-pyrazol-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-ethyl-5-methyl-pyrazol-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1-ethyl-5-methyl-pyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-5-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(1-ethyl-5-methylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-ethyl-5-methyl-pyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C20H22N4O2S2/c1-4-24-13(2)17(12-21-24)22-20(27)23-18-16(19(25)26-3)11-15(28-18)10-14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3,(H2,22,23,27)