(2S)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide

Systemtic Name: (2S)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]-N-propyl-propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-4-13-23-20(26)16(3)28-22-24-19-8-6-5-7-18(19)21(27)25(22)14-17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H,23,26)/t16-/m0/s1