2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]thio]cinchoninamide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C19H23N3O2S/c1-12-6-2-4-8-15(12)21-17(23)11-25-18-10-14(19(20)24)13-7-3-5-9-16(13)22-18/h3,5,7,9-10,12,15H,2,4,6,8,11H2,1H3,(H2,20,24)(H,21,23)/t12-,15+/m0/s1