methyl 5-ethyl-2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C)C(=O)OC

InChI

InChI=1S/C22H26N4O3S2/c1-6-17-11-18(21(27)29-5)20(31-17)24-22(30)23-19-13(2)25-26(14(19)3)12-15-8-7-9-16(10-15)28-4/h7-11H,6,12H2,1-5H3,(H2,23,24,30)