3-[(4-chloranyl-2-methoxy-phenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-azanium

Systemtic Name: 3-[(4-chloranyl-2-methoxy-phenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(4-chloro-2-methoxy-phenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(4-chloro-2-methoxyanilino)-sulfanylidenemethyl]-(1H-indol-3-ylmethyl)amino]propyl-diethylammonium IUPAC Name: 3-[(4-chloro-2-methoxyphenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethylazanium Traditional Name: 3-[(4-chloro-2-methoxy-phenyl)thiocarbamoyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-ammonium Formula: C24H32ClN4OS+ MolecularWeight: 460.05508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4OS/c1-4-28(5-2)13-8-14-29(17-18-16-26-21-10-7-6-9-20(18)21)24(31)27-22-12-11-19(25)15-23(22)30-3/h6-7,9-12,15-16,26H,4-5,8,13-14,17H2,1-3H3,(H,27,31)/p+1