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

Systemtic Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H27N4S2+ MolecularWeight: 387.58518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCC(C1=CC=CS1)C2=CNC3=CC=CC=C32

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC[C@H](C1=CC=CS1)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H26N4S2/c1-24(2)11-6-10-21-20(25)23-14-17(19-9-5-12-26-19)16-13-22-18-8-4-3-7-15(16)18/h3-5,7-9,12-13,17,22H,6,10-11,14H2,1-2H3,(H2,21,23,25)/p+1/t17-/m0/s1