dimethyl-[2-[(3-methylsulfanylphenyl)carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(3-methylsulfanylphenyl)carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-methylsulfanylphenyl)carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-methylsulfanylphenyl)carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[3-(methylthio)phenyl]thiocarbamoylamino]ethyl]ammonium Formula: C12H20N3S2+ MolecularWeight: 270.4373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=CC(=CC=C1)SC

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=CC(=CC=C1)SC

InChI

InChI=1S/C12H19N3S2/c1-15(2)8-7-13-12(16)14-10-5-4-6-11(9-10)17-3/h4-6,9H,7-8H2,1-3H3,(H2,13,14,16)/p+1