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

Systemtic Name: ethyl 2-(cyclohexylcarbonylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclohexanecarbonylcarbamothioylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylthiocarbamoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H23N3O5S2/c1-2-29-20(26)17-16(14-9-6-10-15(11-14)24(27)28)12-31-19(17)23-21(30)22-18(25)13-7-4-3-5-8-13/h6,9-13H,2-5,7-8H2,1H3,(H2,22,23,25,30)