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

Systemtic Name: (2S)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: (2S)-2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide CAS Name: (2S)-2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide Traditional Name: (2S)-N-ethyl-2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-4-22-19(25)14(3)28-21-23-18-9-7-6-8-17(18)20(26)24(21)15-10-12-16(13-11-15)27-5-2/h6-14H,4-5H2,1-3H3,(H,22,25)/t14-/m0/s1