diethyl-[3-[(2-ethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl]azanium

Systemtic Name: diethyl-[3-[(2-ethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl]azanium Openeye Name: diethyl-[3-[(2-ethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl]ammonium CAS Name: diethyl-[3-[[(2-ethylanilino)-sulfanylidenemethyl]-(1H-indol-3-ylmethyl)amino]propyl]ammonium IUPAC Name: diethyl-[3-[(2-ethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl]azanium Traditional Name: diethyl-[3-[(2-ethylphenyl)thiocarbamoyl-(1H-indol-3-ylmethyl)amino]propyl]ammonium Formula: C25H35N4S+ MolecularWeight: 423.6372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCC[NH+](CC)CC)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCC[NH+](CC)CC)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C25H34N4S/c1-4-20-12-7-9-14-23(20)27-25(30)29(17-11-16-28(5-2)6-3)19-21-18-26-24-15-10-8-13-22(21)24/h7-10,12-15,18,26H,4-6,11,16-17,19H2,1-3H3,(H,27,30)/p+1