2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: 2-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]cinchoninamide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C19H23N3O2S/c1-3-12(2)20-17(23)11-25-18-10-15(19(24)21-13-8-9-13)14-6-4-5-7-16(14)22-18/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H,20,23)(H,21,24)/t12-/m0/s1