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

Systemtic Name: ethyl 2-(cyclohexylcarbonylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S2/c1-2-26-20(25)16-13-17(14-9-5-3-6-10-14)28-19(16)23-21(27)22-18(24)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,2,4,7-8,11-12H2,1H3,(H2,22,23,24,27)