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

Systemtic Name: 3-[(3,4-dimethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(3,4-dimethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(3,4-dimethylanilino)-sulfanylidenemethyl]-(1H-indol-3-ylmethyl)amino]propyl-diethylammonium IUPAC Name: 3-[(3,4-dimethylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethylazanium Traditional Name: 3-[(3,4-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(=C(C=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CNC2=CC=CC=C21)C(=S)NC3=CC(=C(C=C3)C)C

InChI

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