[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C16H19BrN3O2S+ MolecularWeight: 397.30996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C16H18BrN3O2S/c1-10(20(2)9-13-7-8-14(17)23-13)16(22)19-12-5-3-11(4-6-12)15(18)21/h3-8,10H,9H2,1-2H3,(H2,18,21)(H,19,22)/p+1/t10-/m1/s1