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

Systemtic Name: 2-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-12(18(24)23-20(2,3)4)26-17-11-15(19(25)21-13-9-10-13)14-7-5-6-8-16(14)22-17/h5-8,11-13H,9-10H2,1-4H3,(H,21,25)(H,23,24)/t12-/m1/s1