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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C)C

InChI

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