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

Systemtic Name: ethyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H30N4O3S2 MolecularWeight: 534.6928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C28H30N4O3S2/c1-6-35-27(33)24-23(21-12-8-7-9-13-21)19(4)37-26(24)30-28(36)29-25-17(2)31-32(18(25)3)16-20-11-10-14-22(15-20)34-5/h7-15H,6,16H2,1-5H3,(H2,29,30,36)