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diethyl-[3-[1H-indol-3-ylmethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]propyl]azanium

diethyl-[3-[1H-indol-3-ylmethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]propyl]azanium

Systemtic Name:diethyl-[3-[1H-indol-3-ylmethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]propyl]azanium
Openeye Name:diethyl-[3-[1H-indol-3-ylmethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]propyl]ammonium
CAS Name:diethyl-[3-[1H-indol-3-ylmethyl-[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]propyl]ammonium
IUPAC Name:diethyl-[3-[1H-indol-3-ylmethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]propyl]azanium
Traditional Name:diethyl-[3-[1H-indol-3-ylmethyl-[[3-(methylthio)phenyl]thiocarbamoyl]amino]propyl]ammonium
Formula: C24H33N4S2+
MolecularWeight: 441.67562
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CNC2=CC=CC=C21)C(=S)NC3=CC(=CC=C3)SC


Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CNC2=CC=CC=C21)C(=S)NC3=CC(=CC=C3)SC


InChI

InChI=1S/C24H32N4S2/c1-4-27(5-2)14-9-15-28(18-19-17-25-23-13-7-6-12-22(19)23)24(29)26-20-10-8-11-21(16-20)30-3/h6-8,10-13,16-17,25H,4-5,9,14-15,18H2,1-3H3,(H,26,29)/p+1


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