N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(4-morpholinosulfonylphenyl)propionamide Formula: C28H28N4O5S2 MolecularWeight: 564.67572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O5S2/c1-20(26(33)29-22-11-13-23(14-12-22)39(35,36)31-15-17-37-18-16-31)38-28-30-25-10-6-5-9-24(25)27(34)32(28)19-21-7-3-2-4-8-21/h2-14,20H,15-19H2,1H3,(H,29,33)