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

Systemtic Name: N-(3-cyanophenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-cyanophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(3-cyanophenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(3-cyanophenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(3-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(=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

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