N-[1-(4-oxidanyl-2,3-dihydro-1,3-benzothiazol-7-yl)-2-oxidanylidene-ethyl]-4-phenethyloxy-butanamide

Systemtic Name: N-[1-(4-oxidanyl-2,3-dihydro-1,3-benzothiazol-7-yl)-2-oxidanylidene-ethyl]-4-phenethyloxy-butanamide Openeye Name: N-[1-(4-hydroxy-2,3-dihydro-1,3-benzothiazol-7-yl)-2-oxo-ethyl]-4-phenethyloxy-butanamide CAS Name: N-[1-(4-hydroxy-2,3-dihydro-1,3-benzothiazol-7-yl)-2-oxoethyl]-4-phenethyloxybutanamide IUPAC Name: N-[1-(4-hydroxy-2,3-dihydro-1,3-benzothiazol-7-yl)-2-oxoethyl]-4-phenethyloxybutanamide Traditional Name: N-[1-(4-hydroxy-2,3-dihydro-1,3-benzothiazol-7-yl)-2-keto-ethyl]-4-phenethyloxy-butyramide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(C=CC(=C2S1)C(C=O)NC(=O)CCCOCCC3=CC=CC=C3)O

Isomeric SMILES

C1NC2=C(C=CC(=C2S1)C(C=O)NC(=O)CCCOCCC3=CC=CC=C3)O

InChI

InChI=1S/C21H24N2O4S/c24-13-17(16-8-9-18(25)20-21(16)28-14-22-20)23-19(26)7-4-11-27-12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17,22,25H,4,7,10-12,14H2,(H,23,26)