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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(cyclohexylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(cyclohexanecarbonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(cyclohexanecarbonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(cyclohexanecarbonylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H23BrN2O3S2 MolecularWeight: 495.45292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3S2/c1-2-27-20(26)17-16(13-8-10-15(22)11-9-13)12-29-19(17)24-21(28)23-18(25)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H2,23,24,25,28)