3-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4OS/c1-27(2)14-6-13-24-23(29)26-15-20(17-9-11-18(28-3)12-10-17)21-16-25-22-8-5-4-7-19(21)22/h4-5,7-12,16,20,25H,6,13-15H2,1-3H3,(H2,24,26,29)/p+1/t20-/m1/s1