(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(ethylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(ethylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(ethylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[(4,8-dimethyl-2-quinolyl)thio]-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C22H23N3O2S/c1-4-23-22(27)25-21(26)20(16-10-6-5-7-11-16)28-18-13-15(3)17-12-8-9-14(2)19(17)24-18/h5-13,20H,4H2,1-3H3,(H2,23,25,26,27)/t20-/m0/s1