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

Systemtic Name: ethyl 2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[methyl-[(1,3,5-trimethyl-4-pyrazolyl)methyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiocarbamoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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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=C(N(N=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(C)CC3=C(N(N=C3C)C)C

InChI

InChI=1S/C22H26N4O2S2/c1-6-28-21(27)17-12-19(16-10-8-7-9-11-16)30-20(17)23-22(29)25(4)13-18-14(2)24-26(5)15(18)3/h7-12H,6,13H2,1-5H3,(H,23,29)