ethyl 2-(cyclohexylcarbonylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(cyclohexylcarbonylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylthiocarbamoylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NC(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H26N2O4S2/c1-3-28-21(26)18-17(14-9-11-16(27-2)12-10-14)13-30-20(18)24-22(29)23-19(25)15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H2,23,24,25,29)