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

Systemtic Name: ethyl 2-[[(1,3-dimethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(1,3-dimethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(1,3-dimethylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(1,3-dimethylpyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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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=C3C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c1-5-27-20(26)17-11-18(15-9-7-6-8-10-15)29-19(17)22-21(28)24(3)12-16-13-25(4)23-14(16)2/h6-11,13H,5,12H2,1-4H3,(H,22,28)