(5-bromanylthiophen-2-yl)methyl-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl]-methyl-ammonium Formula: C17H21BrN3O2S+ MolecularWeight: 411.33654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+](C)CC2=CC=C(S2)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+](C)CC2=CC=C(S2)Br)C

InChI

InChI=1S/C17H20BrN3O2S/c1-11-4-6-14(12(2)8-11)19-17(23)20-16(22)10-21(3)9-13-5-7-15(18)24-13/h4-8H,9-10H2,1-3H3,(H2,19,20,22,23)/p+1