methyl 3-chloranyl-6-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(2-nitrophenyl)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(2-nitrophenyl)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H16ClN3O4S2 MolecularWeight: 497.97384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-])Cl

InChI

InChI=1S/C23H16ClN3O4S2/c1-31-22(28)21-20(24)17-11-10-15(12-19(17)33-21)26-23(32)25-14-8-6-13(7-9-14)16-4-2-3-5-18(16)27(29)30/h2-12H,1H3,(H2,25,26,32)