2-(3-oxidanylidenebutan-2-ylsulfanyl)-3-(3-phenylpropyl)quinazolin-4-one

Systemtic Name: 2-(3-oxidanylidenebutan-2-ylsulfanyl)-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-(1-methyl-2-oxo-propyl)sulfanyl-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-(3-oxobutan-2-ylthio)-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-(3-oxobutan-2-ylsulfanyl)-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[(2-keto-1-methyl-propyl)thio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)SC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-15(24)16(2)26-21-22-19-13-7-6-12-18(19)20(25)23(21)14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16H,8,11,14H2,1-2H3