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

Systemtic Name: ethyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C27H28N4O3S2/c1-5-34-26(32)22-15-23(20-11-7-6-8-12-20)36-25(22)29-27(35)28-24-17(2)30-31(18(24)3)16-19-10-9-13-21(14-19)33-4/h6-15H,5,16H2,1-4H3,(H2,28,29,35)