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

Systemtic Name: methyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H20ClN3O5S2 MolecularWeight: 554.0371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C26H20ClN3O5S2/c1-34-25(31)23-15-22(11-16-5-3-2-4-6-16)37-24(23)29-26(36)28-18-12-19(30(32)33)14-21(13-18)35-20-9-7-17(27)8-10-20/h2-10,12-15H,11H2,1H3,(H2,28,29,36)