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

Systemtic Name: (2S)-2-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: (2S)-2-[3-[(4-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide CAS Name: (2S)-2-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide Traditional Name: (2S)-2-[[3-(4-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-ethyl-propionamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-3-22-18(25)13(2)27-20-23-17-7-5-4-6-16(17)19(26)24(20)12-14-8-10-15(21)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,22,25)/t13-/m0/s1