ethyl 2-(cyclohexylcarbonylcarbamothioylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(cyclohexylcarbonylcarbamothioylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylthiocarbamoylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S2/c1-4-28-22(27)19-18(17-11-10-14(2)15(3)12-17)13-30-21(19)25-23(29)24-20(26)16-8-6-5-7-9-16/h10-13,16H,4-9H2,1-3H3,(H2,24,25,26,29)