2-[3-(cyclohexylamino)-3-oxidanylidene-propyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[3-(cyclohexylamino)-3-oxidanylidene-propyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[3-(cyclohexylamino)-3-oxo-propyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[3-(cyclohexylamino)-3-oxopropyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[3-(cyclohexylamino)-3-oxopropyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[3-(cyclohexylamino)-3-keto-propyl]thio]cinchoninamide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

C1CCC(CC1)NC(=O)CCSC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C19H23N3O2S/c20-19(24)15-12-18(22-16-9-5-4-8-14(15)16)25-11-10-17(23)21-13-6-2-1-3-7-13/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H2,20,24)(H,21,23)