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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4

InChI

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