(2R)-N-(cyclohexylcarbamoyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)S[C@H](C)C(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C21H27N3O2S/c1-13-8-7-11-17-14(2)12-18(23-19(13)17)27-15(3)20(25)24-21(26)22-16-9-5-4-6-10-16/h7-8,11-12,15-16H,4-6,9-10H2,1-3H3,(H2,22,24,25,26)/t15-/m1/s1