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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC=CC=C4

InChI

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