methyl 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]thiocarbamoyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C=C(C=N1)CN(C)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

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