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

Systemtic Name: (2S)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-propyl-propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-3-13-22-19(25)15(2)27-21-23-18-12-8-7-11-17(18)20(26)24(21)14-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,25)/t15-/m0/s1