3-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide

Systemtic Name: 3-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide Openeye Name: 3-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-N-phenethyl-propanamide CAS Name: 3-[2-[(2,4-dimethylphenyl)methylthio]-4-oxo-3-quinazolinyl]-N-phenethylpropanamide IUPAC Name: 3-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-phenethylpropanamide Traditional Name: 3-[2-[(2,4-dimethylbenzyl)thio]-4-keto-quinazolin-3-yl]-N-phenethyl-propionamide 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)N2CCC(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4)C

InChI

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