N-(3-cyanothiophen-2-yl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H22N4O3S2/c1-14(2)28-10-5-9-25-20(27)16-6-3-4-7-17(16)23-21(25)30-13-18(26)24-19-15(12-22)8-11-29-19/h3-4,6-8,11,14H,5,9-10,13H2,1-2H3,(H,24,26)