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

Systemtic Name: methyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H18ClN3O5S2 MolecularWeight: 540.01052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C25H18ClN3O5S2/c1-33-24(30)21-14-22(15-5-3-2-4-6-15)36-23(21)28-25(35)27-17-11-18(29(31)32)13-20(12-17)34-19-9-7-16(26)8-10-19/h2-14H,1H3,(H2,27,28,35)