2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3-cyano-6,7-dimethoxy-2-quinolyl)sulfanyl]acetamide CAS Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(3-cyano-6,7-dimethoxy-2-quinolyl)thio]acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C21H19N3O3S/c1-26-18-9-15-8-16(11-22)21(24-17(15)10-19(18)27-2)28-13-20(25)23-12-14-6-4-3-5-7-14/h3-10H,12-13H2,1-2H3,(H,23,25)