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

Systemtic Name: ethyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chlorophenoxy)-5-nitroanilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H20ClN3O5S2 MolecularWeight: 554.0371

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H20ClN3O5S2/c1-2-34-25(31)22-15-23(16-6-4-3-5-7-16)37-24(22)29-26(36)28-18-12-19(30(32)33)14-21(13-18)35-20-10-8-17(27)9-11-20/h3-15H,2H2,1H3,(H2,28,29,36)