2-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]butylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]butylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butylthio]-1H-quinazolin-4-one IUPAC Name: 2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[4-[(2-keto-3,4-dihydro-1H-quinolin-6-yl)oxy]butylthio]-1H-quinazolin-4-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)OCCCCSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)OCCCCSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O3S/c25-19-10-7-14-13-15(8-9-17(14)22-19)27-11-3-4-12-28-21-23-18-6-2-1-5-16(18)20(26)24-21/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,22,25)(H,23,24,26)