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

Systemtic Name: ethyl 5-methyl-2-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N(C)CC3=C(N(N=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N(C)CC3=C(N(N=C3C)C)C

InChI

InChI=1S/C23H28N4O2S2/c1-7-29-22(28)20-19(17-11-9-8-10-12-17)16(4)31-21(20)24-23(30)26(5)13-18-14(2)25-27(6)15(18)3/h8-12H,7,13H2,1-6H3,(H,24,30)