methyl 2-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzhydrylpiperazin-4-ium-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzhydrylpiperazin-4-ium-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-benzhydrylpiperazin-4-ium-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C27H30N3O2S2+ MolecularWeight: 492.676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2S2/c1-32-26(31)23-21-13-8-14-22(21)34-25(23)28-27(33)30-17-15-29(16-18-30)24(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,24H,8,13-18H2,1H3,(H,28,33)/p+1