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

Systemtic Name: 2-[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(cyclopentylamino)-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C(=O)NC1CCCC1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C21H25N3O2S/c1-13(20(25)22-14-6-2-3-7-14)27-19-12-17(21(26)23-15-10-11-15)16-8-4-5-9-18(16)24-19/h4-5,8-9,12-15H,2-3,6-7,10-11H2,1H3,(H,22,25)(H,23,26)