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

Systemtic Name: ethyl 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(C)CC3=CN(N=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(C)CC3=CN(N=C3)C

InChI

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