methyl 3-chloranyl-6-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-[(4-chlorophenyl)thio]phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H16Cl2N2O2S3 MolecularWeight: 519.48634

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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=CC=C3SC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H16Cl2N2O2S3/c1-29-22(28)21-20(25)16-11-8-14(12-19(16)32-21)26-23(30)27-17-4-2-3-5-18(17)31-15-9-6-13(24)7-10-15/h2-12H,1H3,(H2,26,27,30)