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

Systemtic Name: ethyl 2-[[(1,3-dimethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(1,3-dimethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(1,3-dimethylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(1,3-dimethylpyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]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)CC2=CC=CC=C2)NC(=S)N(C)CC3=CN(N=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(C)CC3=CN(N=C3C)C

InChI

InChI=1S/C22H26N4O2S2/c1-5-28-21(27)19-12-18(11-16-9-7-6-8-10-16)30-20(19)23-22(29)25(3)13-17-14-26(4)24-15(17)2/h6-10,12,14H,5,11,13H2,1-4H3,(H,23,29)