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

Systemtic Name: N-cyclopropyl-2-[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl]thio]cinchoninamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H29N3O2S/c1-14-7-3-5-9-19(14)26-22(27)15(2)29-21-13-18(23(28)24-16-11-12-16)17-8-4-6-10-20(17)25-21/h4,6,8,10,13-16,19H,3,5,7,9,11-12H2,1-2H3,(H,24,28)(H,26,27)