ethyl 2-(cyclohexylcarbonylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(cyclohexylcarbonylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S2/c1-3-27-21(26)18-17(15-10-6-4-7-11-15)14(2)29-20(18)24-22(28)23-19(25)16-12-8-5-9-13-16/h4,6-7,10-11,16H,3,5,8-9,12-13H2,1-2H3,(H2,23,24,25,28)