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

Systemtic Name: 2-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4S/c1-25(2)13-12-22-21(26)24-14-18(16-8-4-3-5-9-16)19-15-23-20-11-7-6-10-17(19)20/h3-11,15,18,23H,12-14H2,1-2H3,(H2,22,24,26)/p+1/t18-/m1/s1