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

Systemtic Name: 3-[[(2R)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(2R)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2R)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2R)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(2R)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C24H34N5S+ MolecularWeight: 424.62526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5S/c1-28(2)15-7-14-25-24(30)27-16-21(18-10-12-19(13-11-18)29(3)4)22-17-26-23-9-6-5-8-20(22)23/h5-6,8-13,17,21,26H,7,14-16H2,1-4H3,(H2,25,27,30)/p+1/t21-/m1/s1