methanesulfonate; N'-[4-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]butylsulfanyl]methanimidamide

Systemtic Name: methanesulfonate; N'-[4-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]butylsulfanyl]methanimidamide Openeye Name: methanesulfonate; N'-[4-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]butylsulfanyl]formamidine CAS Name: methanesulfonate; N'-[4-[3-[4-(1-methyl-3-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]butylthio]methanimidamide IUPAC Name: methanesulfonate; N'-[4-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]butylsulfanyl]methanimidamide Traditional Name: N'-[4-[3-[2,5-diketo-4-(1-methylindol-3-yl)-3-pyrrolin-3-yl]indol-1-yl]butylthio]formamidine mesylate Formula: C27H28N5O5S2- MolecularWeight: 566.67172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCSN=CN.CS(=O)(=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCS/N=C/N.CS(=O)(=O)[O-]

InChI

InChI=1S/C26H25N5O2S.CH4O3S/c1-30-14-19(17-8-2-4-10-21(17)30)23-24(26(33)29-25(23)32)20-15-31(12-6-7-13-34-28-16-27)22-11-5-3-9-18(20)22;1-5(2,3)4/h2-5,8-11,14-16H,6-7,12-13H2,1H3,(H2,27,28)(H,29,32,33);1H3,(H,2,3,4)/p-1