ethyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chlorophenoxy)-5-nitroanilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H22ClN3O5S2 MolecularWeight: 568.06368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H22ClN3O5S2/c1-2-35-26(32)24-16-23(12-17-6-4-3-5-7-17)38-25(24)30-27(37)29-19-13-20(31(33)34)15-22(14-19)36-21-10-8-18(28)9-11-21/h3-11,13-16H,2,12H2,1H3,(H2,29,30,37)