2-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[(2-bromobenzyl)-methyl-amino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H22BrN3O2S/c1-27(13-15-6-2-4-8-19(15)24)22(28)14-30-21-12-18(23(29)25-16-10-11-16)17-7-3-5-9-20(17)26-21/h2-9,12,16H,10-11,13-14H2,1H3,(H,25,29)