N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C25H28N4O3S2/c1-16(2)32-13-7-12-29-24(31)18-9-3-5-10-20(18)27-25(29)33-15-22(30)28-23-19(14-26)17-8-4-6-11-21(17)34-23/h3,5,9-10,16H,4,6-8,11-13,15H2,1-2H3,(H,28,30)