3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide

Systemtic Name: 3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-propanamide Openeye Name: 3-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-propanamide CAS Name: 3-[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylpropanamide IUPAC Name: 3-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylpropanamide Traditional Name: 3-[4-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]quinazolin-3-yl]-N-phenethyl-propionamide Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O3S/c1-20-11-13-22(14-12-20)30-26(34)19-36-28-31-24-10-6-5-9-23(24)27(35)32(28)18-16-25(33)29-17-15-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,29,33)(H,30,34)