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

Systemtic Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C22H29N4S+ MolecularWeight: 381.55746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4S/c1-26(2)14-8-13-23-22(27)25-15-19(17-9-4-3-5-10-17)20-16-24-21-12-7-6-11-18(20)21/h3-7,9-12,16,19,24H,8,13-15H2,1-2H3,(H2,23,25,27)/p+1/t19-/m1/s1