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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CNC2=CC=CC=C21)C(=S)NC3=CC=CC(=C3C)C

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CNC2=CC=CC=C21)C(=S)NC3=CC=CC(=C3C)C

InChI

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