6-[4-oxidanylidene-2-[(4-phenylphenyl)methylsulfanyl]quinazolin-3-yl]hexanamide

Systemtic Name: 6-[4-oxidanylidene-2-[(4-phenylphenyl)methylsulfanyl]quinazolin-3-yl]hexanamide Openeye Name: 6-[4-oxo-2-[(4-phenylphenyl)methylsulfanyl]quinazolin-3-yl]hexanamide CAS Name: 6-[4-oxo-2-[(4-phenylphenyl)methylthio]-3-quinazolinyl]hexanamide IUPAC Name: 6-[4-oxo-2-[(4-phenylphenyl)methylsulfanyl]quinazolin-3-yl]hexanamide Traditional Name: 6-[4-keto-2-[(4-phenylbenzyl)thio]quinazolin-3-yl]hexanamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCCCC(=O)N

InChI

InChI=1S/C27H27N3O2S/c28-25(31)13-5-2-8-18-30-26(32)23-11-6-7-12-24(23)29-27(30)33-19-20-14-16-22(17-15-20)21-9-3-1-4-10-21/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-19H2,(H2,28,31)