methyl 3-chloranyl-6-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H21Cl2N3O2S2 MolecularWeight: 494.45704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C22H21Cl2N3O2S2/c1-13-3-4-14(23)11-17(13)26-7-9-27(10-8-26)22(30)25-15-5-6-16-18(12-15)31-20(19(16)24)21(28)29-2/h3-6,11-12H,7-10H2,1-2H3,(H,25,30)