ethyl 4-(2-chlorophenyl)-2-[(4-nitrophenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[(4-nitrophenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[(4-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[(4-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[(4-nitrobenzoyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H16ClN3O5S2 MolecularWeight: 489.95184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O5S2/c1-2-30-20(27)17-15(14-5-3-4-6-16(14)22)11-32-19(17)24-21(31)23-18(26)12-7-9-13(10-8-12)25(28)29/h3-11H,2H2,1H3,(H2,23,24,26,31)