diethyl-[[4-[(2-phenylsulfanylethylcarbamothioylamino)methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[(2-phenylsulfanylethylcarbamothioylamino)methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[(2-phenylsulfanylethylcarbamothioylamino)methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[(2-phenylsulfanylethylcarbamothioylamino)methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[2-(phenylthio)ethylthiocarbamoylamino]methyl]benzyl]ammonium Formula: C21H30N3S2+ MolecularWeight: 388.613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C21H29N3S2/c1-3-24(4-2)17-19-12-10-18(11-13-19)16-23-21(25)22-14-15-26-20-8-6-5-7-9-20/h5-13H,3-4,14-17H2,1-2H3,(H2,22,23,25)/p+1