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

Systemtic Name: 4-[2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-(o-tolylmethylsulfanyl)-4-oxo-quinazolin-3-yl]butanamide CAS Name: 4-[2-[(2-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[(2-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-benzyl-4-[4-keto-2-[(2-methylbenzyl)thio]quinazolin-3-yl]butyramide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-20-10-5-6-13-22(20)19-33-27-29-24-15-8-7-14-23(24)26(32)30(27)17-9-16-25(31)28-18-21-11-3-2-4-12-21/h2-8,10-15H,9,16-19H2,1H3,(H,28,31)