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

Systemtic Name: N-(2-cyanophenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-cyanophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyanophenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyanophenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-cyanophenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H20N4O3S/c1-14(19(27)23-17-9-4-2-7-15(17)13-22)29-21-24-18-10-5-3-8-16(18)20(28)25(21)11-6-12-26/h2-5,7-10,14,26H,6,11-12H2,1H3,(H,23,27)