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

Systemtic Name: N-(cyclohexylmethyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(cyclohexylmethyl)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NCC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NCC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-29-20-12-13-21-22(19-10-6-3-7-11-19)15-25(27-23(21)14-20)30-17-24(28)26-16-18-8-4-2-5-9-18/h3,6-7,10-15,18H,2,4-5,8-9,16-17H2,1H3,(H,26,28)