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

Systemtic Name: methyl 4-ethyl-2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C)C

InChI

InChI=1S/C23H28N4O3S2/c1-7-18-15(4)32-21(19(18)22(28)30-6)25-23(31)24-20-13(2)26-27(14(20)3)12-16-9-8-10-17(11-16)29-5/h8-11H,7,12H2,1-6H3,(H2,24,25,31)