dimethyl-[2-[(phenylmethyl)carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(phenylmethyl)carbamothioylamino]ethyl]azanium Openeye Name: 2-(benzylcarbamothioylamino)ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: 2-(benzylcarbamothioylamino)ethyl-dimethylazanium Traditional Name: 2-(benzylthiocarbamoylamino)ethyl-dimethyl-ammonium Formula: C12H20N3S+ MolecularWeight: 238.3723

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

C[NH+](C)CCNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C12H19N3S/c1-15(2)9-8-13-12(16)14-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,13,14,16)/p+1