ethyl 2-[(1-methylpyrazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-methylpyrazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-methylpyrazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)C

InChI

InChI=1S/C19H20N4O2S2/c1-3-25-18(24)15-12-14(11-13-7-5-4-6-8-13)27-17(15)21-19(26)20-16-9-10-23(2)22-16/h4-10,12H,3,11H2,1-2H3,(H2,20,21,22,26)