N-(2-cyanophenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyanophenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-cyanophenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyanophenyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyanophenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-cyanophenyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]propionamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C27H24N4O2S/c1-19(25(32)29-23-15-7-5-13-21(23)18-28)34-27-30-24-16-8-6-14-22(24)26(33)31(27)17-9-12-20-10-3-2-4-11-20/h2-8,10-11,13-16,19H,9,12,17H2,1H3,(H,29,32)