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

Systemtic Name: 2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: 2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC(=O)NCC=C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC(=O)NCC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-3-11-23-22(27)25-20(26)14-29-21-13-18(15-7-5-4-6-8-15)17-10-9-16(28-2)12-19(17)24-21/h3-10,12-13H,1,11,14H2,2H3,(H2,23,25,26,27)