3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C22H28ClN4S+ MolecularWeight: 416.00252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCC(C1=CC=CC=C1Cl)C2=CNC3=CC=CC=C32

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC[C@H](C1=CC=CC=C1Cl)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H27ClN4S/c1-27(2)13-7-12-24-22(28)26-15-18(16-8-3-5-10-20(16)23)19-14-25-21-11-6-4-9-17(19)21/h3-6,8-11,14,18,25H,7,12-13,15H2,1-2H3,(H2,24,26,28)/p+1/t18-/m1/s1