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

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C

InChI

InChI=1S/C25H30N4O5S2/c1-17(2)15-29-24(31)20-6-4-5-7-21(20)27-25(29)35-16-23(30)26-22-14-19(9-8-18(22)3)36(32,33)28-10-12-34-13-11-28/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,26,30)