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

Systemtic Name: 4-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]butanamide CAS Name: 4-[2-[(2,4-dimethylphenyl)methylthio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-benzyl-4-[2-[(2,4-dimethylbenzyl)thio]-4-keto-quinazolin-3-yl]butyramide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O2S/c1-20-14-15-23(21(2)17-20)19-34-28-30-25-12-7-6-11-24(25)27(33)31(28)16-8-13-26(32)29-18-22-9-4-3-5-10-22/h3-7,9-12,14-15,17H,8,13,16,18-19H2,1-2H3,(H,29,32)