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

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

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O2S2/c1-29-21(28)20-19(24)17-7-6-16(12-18(17)31-20)25-22(30)27-10-8-26(9-11-27)13-14-2-4-15(23)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,25,30)