N-(3-acetamidophenyl)-2-(3,6-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-(3,6-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[(3,6-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[(3,6-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[(3,6-dimethyl-2-quinolyl)thio]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC=CC(=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC=CC(=C3)NC(=O)C)C

InChI

InChI=1S/C21H21N3O2S/c1-13-7-8-19-16(9-13)10-14(2)21(24-19)27-12-20(26)23-18-6-4-5-17(11-18)22-15(3)25/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)