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

Systemtic Name: methyl 3-chloranyl-6-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C28H26ClN3O2S2 MolecularWeight: 536.10794

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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)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H26ClN3O2S2/c1-34-27(33)26-24(29)22-13-12-21(18-23(22)36-26)30-28(35)32-16-14-31(15-17-32)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,25H,14-17H2,1H3,(H,30,35)