N-cyclopropyl-2-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl]thio]cinchoninamide Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-12(2)13(3)21-18(24)11-26-19-10-16(20(25)22-14-8-9-14)15-6-4-5-7-17(15)23-19/h4-7,10,12-14H,8-9,11H2,1-3H3,(H,21,24)(H,22,25)/t13-/m0/s1