diethyl-[3-[(1-ethylindol-3-yl)methyl-[(2-methylphenyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[(1-ethylindol-3-yl)methyl-[(2-methylphenyl)carbamothioyl]amino]propyl]azanium Openeye Name: diethyl-[3-[(1-ethylindol-3-yl)methyl-(o-tolylcarbamothioyl)amino]propyl]ammonium CAS Name: diethyl-[3-[(1-ethyl-3-indolyl)methyl-[(2-methylanilino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[(1-ethylindol-3-yl)methyl-[(2-methylphenyl)carbamothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[(1-ethylindol-3-yl)methyl-(o-tolylthiocarbamoyl)amino]propyl]ammonium Formula: C26H37N4S+ MolecularWeight: 437.66378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)CN(CCC[NH+](CC)CC)C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CN(CCC[NH+](CC)CC)C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C26H36N4S/c1-5-28(6-2)17-12-18-30(26(31)27-24-15-10-8-13-21(24)4)20-22-19-29(7-3)25-16-11-9-14-23(22)25/h8-11,13-16,19H,5-7,12,17-18,20H2,1-4H3,(H,27,31)/p+1