2-ethylsulfanylethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate dihydrochloride

Systemtic Name: 2-ethylsulfanylethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate dihydrochloride Openeye Name: 2-ethylsulfanylethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate dihydrochloride CAS Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetic acid 2-(ethylthio)ethyl ester dihydrochloride IUPAC Name: 2-ethylsulfanylethyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate dihydrochloride Traditional Name: 2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetic acid 2-(ethylthio)ethyl ester dihydrochloride Formula: C22H27Cl2N5O2S MolecularWeight: 496.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CCSCCOC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C22H25N5O2S.2ClH/c1-2-30-10-9-29-19(28)12-17-16-8-7-15(22(25)26)11-18(16)27-20(17)13-3-5-14(6-4-13)21(23)24;;/h3-8,11,27H,2,9-10,12H2,1H3,(H3,23,24)(H3,25,26);2*1H