dimethyl-[3-oxidanylidene-3-[2-[(phenylmethyl)carbamothioyl]hydrazinyl]propyl]azanium

Systemtic Name: dimethyl-[3-oxidanylidene-3-[2-[(phenylmethyl)carbamothioyl]hydrazinyl]propyl]azanium Openeye Name: [3-[2-(benzylcarbamothioyl)hydrazino]-3-oxo-propyl]-dimethyl-ammonium CAS Name: dimethyl-[3-oxo-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]propyl]ammonium IUPAC Name: [3-[2-(benzylcarbamothioyl)hydrazinyl]-3-oxopropyl]-dimethylazanium Traditional Name: [3-[N'-(benzylthiocarbamoyl)hydrazino]-3-keto-propyl]-dimethyl-ammonium Formula: C13H21N4OS+ MolecularWeight: 281.39704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(=O)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

C[NH+](C)CCC(=O)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C13H20N4OS/c1-17(2)9-8-12(18)15-16-13(19)14-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)(H2,14,16,19)/p+1