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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN(C)C(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)CN(C)C(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

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