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

Systemtic Name: 3-[(3-chlorophenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(3-chlorophenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(3-chloroanilino)-sulfanylidenemethyl]-(1H-indol-3-ylmethyl)amino]propyl-diethylammonium IUPAC Name: 3-[(3-chlorophenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethylazanium Traditional Name: 3-[(3-chlorophenyl)thiocarbamoyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-ammonium Formula: C23H30ClN4S+ MolecularWeight: 430.0291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN4S/c1-3-27(4-2)13-8-14-28(23(29)26-20-10-7-9-19(24)15-20)17-18-16-25-22-12-6-5-11-21(18)22/h5-7,9-12,15-16,25H,3-4,8,13-14,17H2,1-2H3,(H,26,29)/p+1