2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-3-9-16(2)23-20(26)15-28-22-24-19-13-8-7-12-18(19)21(27)25(22)14-17-10-5-4-6-11-17/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H,23,26)/t16-/m0/s1