N-[2-[(6,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[(6,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[2-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]phenyl]cyclohexanecarboxamide CAS Name: N-[2-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylthio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[2-[(4-keto-6,8-dimethyl-1H-quinolin-2-yl)methylthio]phenyl]cyclohexanecarboxamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=CC=CC=C3NC(=O)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=CC=CC=C3NC(=O)C4CCCCC4)C

InChI

InChI=1S/C25H28N2O2S/c1-16-12-17(2)24-20(13-16)22(28)14-19(26-24)15-30-23-11-7-6-10-21(23)27-25(29)18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15H2,1-2H3,(H,26,28)(H,27,29)