4-[2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-(o-tolylmethylsulfanyl)-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(2-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(2-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[4-keto-2-[(2-methylbenzyl)thio]quinazolin-3-yl]-N-phenethyl-butyramide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-21-10-5-6-13-23(21)20-34-28-30-25-15-8-7-14-24(25)27(33)31(28)19-9-16-26(32)29-18-17-22-11-3-2-4-12-22/h2-8,10-15H,9,16-20H2,1H3,(H,29,32)