methyl-[3-(phenethylcarbamothioylamino)propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-(phenethylcarbamothioylamino)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-(phenethylcarbamothioylamino)propyl]ammonium CAS Name: methyl-[3-[[(phenethylamino)-sulfanylidenemethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-(phenethylcarbamothioylamino)propyl]azanium Traditional Name: benzyl-methyl-[3-(phenethylthiocarbamoylamino)propyl]ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=S)NCCC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=S)NCCC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3S/c1-23(17-19-11-6-3-7-12-19)16-8-14-21-20(24)22-15-13-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3,(H2,21,22,24)/p+1