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

Systemtic Name: 2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS/c1-26(2)13-12-23-22(28)25-14-19(16-8-10-17(27-3)11-9-16)20-15-24-21-7-5-4-6-18(20)21/h4-11,15,19,24H,12-14H2,1-3H3,(H2,23,25,28)/p+1/t19-/m1/s1