4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)-6-(4-methylsulfanylphenyl)phenol

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)-6-(4-methylsulfanylphenyl)phenol Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)-6-(4-methylsulfanylphenyl)phenol CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-(diethylaminomethyl)-6-[4-(methylthio)phenyl]phenol IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)-6-(4-methylsulfanylphenyl)phenol Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)-6-[4-(methylthio)phenyl]phenol Formula: C27H28ClN3OS MolecularWeight: 478.04872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)SC)O

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)SC)O

InChI

InChI=1S/C27H28ClN3OS/c1-4-31(5-2)17-19-14-21(16-24(27(19)32)18-6-9-22(33-3)10-7-18)30-25-12-13-29-26-15-20(28)8-11-23(25)26/h6-16,32H,4-5,17H2,1-3H3,(H,29,30)