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

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(3-chloro-2-methyl-phenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-(1H-indol-3-ylmethyl)amino]propyl-diethylammonium IUPAC Name: 3-[(3-chloro-2-methylphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethylazanium Traditional Name: 3-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-ammonium Formula: C24H32ClN4S+ MolecularWeight: 444.05568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4S/c1-4-28(5-2)14-9-15-29(17-19-16-26-23-12-7-6-10-20(19)23)24(30)27-22-13-8-11-21(25)18(22)3/h6-8,10-13,16,26H,4-5,9,14-15,17H2,1-3H3,(H,27,30)/p+1