3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H24BrN4OS+ MolecularWeight: 388.34626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C15H23BrN4OS/c1-11-9-12(16)5-6-13(11)19-14(21)10-18-15(22)17-7-4-8-20(2)3/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,21)(H2,17,18,22)/p+1