(2S)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(4-oxo-1H-quinazolin-2-yl)thio]propanamide IUPAC Name: (2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(4-keto-1H-quinazolin-2-yl)thio]-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H24N4O5S2/c1-14-7-8-16(13-19(14)33(29,30)26-9-11-31-12-10-26)23-20(27)15(2)32-22-24-18-6-4-3-5-17(18)21(28)25-22/h3-8,13,15H,9-12H2,1-2H3,(H,23,27)(H,24,25,28)/t15-/m0/s1