N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C24H27ClN4O5S2 MolecularWeight: 551.07798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C24H27ClN4O5S2/c1-16(2)14-29-23(31)18-5-3-4-6-20(18)27-24(29)35-15-22(30)26-21-13-17(7-8-19(21)25)36(32,33)28-9-11-34-12-10-28/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,26,30)