N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]acetamide Formula: C29H37N5O5S2 MolecularWeight: 599.76458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

InChI

InChI=1S/C29H37N5O5S2/c35-27(30-23-9-7-10-24(21-23)41(37,38)33-14-5-1-2-6-15-33)22-40-29-31-26-12-4-3-11-25(26)28(36)34(29)16-8-13-32-17-19-39-20-18-32/h3-4,7,9-12,21H,1-2,5-6,8,13-20,22H2,(H,30,35)