2-[(4-acetamidophenyl)carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-acetamidophenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-acetamidophenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-acetamidophenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(4-acetamidophenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H21N4OS+ MolecularWeight: 281.39704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NCC[NH+](C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C13H20N4OS/c1-10(18)15-11-4-6-12(7-5-11)16-13(19)14-8-9-17(2)3/h4-7H,8-9H2,1-3H3,(H,15,18)(H2,14,16,19)/p+1