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

Systemtic Name: 2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[4-keto-3-(m-tolyl)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)N1C3=CC=CC(=C3)C

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-4-8-16(3)23-20(26)14-28-22-24-19-12-6-5-11-18(19)21(27)25(22)17-10-7-9-15(2)13-17/h5-7,9-13,16H,4,8,14H2,1-3H3,(H,23,26)/t16-/m0/s1