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

Systemtic Name: 2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-27(2)13-12-24-23(30)26-15-19(17-9-7-11-21(28-3)22(17)29-4)18-14-25-20-10-6-5-8-16(18)20/h5-11,14,19,25H,12-13,15H2,1-4H3,(H2,24,26,30)/p+1/t19-/m1/s1