2-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl]thio]cinchoninamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C20H18BrN3O2S/c1-12(13-6-8-14(21)9-7-13)23-18(25)11-27-19-10-16(20(22)26)15-4-2-3-5-17(15)24-19/h2-10,12H,11H2,1H3,(H2,22,26)(H,23,25)/t12-/m0/s1