N-(2-cyanoethyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]-N-phenyl-acetamide Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O2S/c1-32-22-13-14-23-24(20-9-4-2-5-10-20)18-26(29-25(23)17-22)33-19-27(31)30(16-8-15-28)21-11-6-3-7-12-21/h2-7,9-14,17-18H,8,16,19H2,1H3