2-[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(cycloheptylamino)-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[1-(cycloheptylamino)-1-oxopropan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H29N3O2S/c1-15(22(27)24-16-8-4-2-3-5-9-16)29-21-14-19(23(28)25-17-12-13-17)18-10-6-7-11-20(18)26-21/h6-7,10-11,14-17H,2-5,8-9,12-13H2,1H3,(H,24,27)(H,25,28)