methyl 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1,3-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1,3-dimethylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=NN(C=C1CNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C20H22N4O2S2/c1-13-15(12-24(2)23-13)11-21-20(27)22-18-17(19(25)26-3)10-16(28-18)9-14-7-5-4-6-8-14/h4-8,10,12H,9,11H2,1-3H3,(H2,21,22,27)