diethyl-[3-[(4-ethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl]azanium

Systemtic Name: diethyl-[3-[(4-ethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl]azanium Openeye Name: diethyl-[3-[(4-ethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl]ammonium CAS Name: diethyl-[3-[[(4-ethylanilino)-sulfanylidenemethyl]-(1H-indol-3-ylmethyl)amino]propyl]ammonium IUPAC Name: diethyl-[3-[(4-ethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl]azanium Traditional Name: diethyl-[3-[(4-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=C(C=C1)NC(=S)N(CCC[NH+](CC)CC)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+](CC)CC)CC2=CNC3=CC=CC=C32

InChI

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