N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-butan-2-yl]-4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-butan-2-yl]-4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)propyl]-2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-butanamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxobutan-2-yl]-4-(4-morpholinyl)-4-oxo-2-[(phenylmethyl)sulfonylmethyl]butanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxobutan-2-yl]-2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)propyl]-2-(benzylsulfonylmethyl)-4-keto-4-morpholino-butyramide Formula: C27H31N3O6S2 MolecularWeight: 557.68154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O6S2/c1-2-21(25(32)27-29-22-10-6-7-11-23(22)37-27)28-26(33)20(16-24(31)30-12-14-36-15-13-30)18-38(34,35)17-19-8-4-3-5-9-19/h3-11,20-21H,2,12-18H2,1H3,(H,28,33)