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

Systemtic Name: methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3,5-dimethyl-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CN3C(=CC(=N3)C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CN3C(=CC(=N3)C)C)C

InChI

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