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

Systemtic Name: (2S)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]-N-propyl-propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H25N3O3S/c1-4-14-23-20(26)15(3)29-22-24-19-9-7-6-8-18(19)21(27)25(22)16-10-12-17(13-11-16)28-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)/t15-/m0/s1