2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-heptan-2-yl]ethanamide

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2S/c1-3-4-5-8-17(2)26-22(29)16-31-24-27-21-10-7-6-9-20(21)23(30)28(24)19-13-11-18(15-25)12-14-19/h6-7,9-14,17H,3-5,8,16H2,1-2H3,(H,26,29)/t17-/m0/s1