2-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]thio]cinchoninamide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NC2=CC=CC=C2C(=C1)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NCC=C)SC1=NC2=CC=CC=C2C(=C1)C(=O)N

InChI

InChI=1S/C16H17N3O2S/c1-3-8-18-16(21)10(2)22-14-9-12(15(17)20)11-6-4-5-7-13(11)19-14/h3-7,9-10H,1,8H2,2H3,(H2,17,20)(H,18,21)/t10-/m0/s1