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

Systemtic Name: 2-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[(1R)-2-amino-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[(2R)-1-amino-1-oxopropan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(2R)-1-amino-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

C[C@H](C(=O)N)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C16H17N3O2S/c1-9(15(17)20)22-14-8-12(16(21)18-10-6-7-10)11-4-2-3-5-13(11)19-14/h2-5,8-10H,6-7H2,1H3,(H2,17,20)(H,18,21)/t9-/m1/s1