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

Systemtic Name: 2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C14H22BrN4OS+ MolecularWeight: 374.31968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN4OS/c1-10-8-11(15)4-5-12(10)18-13(20)9-17-14(21)16-6-7-19(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,18,20)(H2,16,17,21)/p+1