methyl 3-chloranyl-6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H18Cl3N3O2S2 MolecularWeight: 514.87552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C21H18Cl3N3O2S2/c1-29-20(28)19-18(24)14-4-2-12(10-17(14)31-19)25-21(30)27-8-6-26(7-9-27)13-3-5-15(22)16(23)11-13/h2-5,10-11H,6-9H2,1H3,(H,25,30)