4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(3-phenylsulfanylpropyl)butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(3-phenylsulfanylpropyl)butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(3-phenylsulfanylpropyl)butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-[3-(phenylthio)propyl]butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(3-phenylsulfanylpropyl)butanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[3-(phenylthio)propyl]butyramide Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCCCSC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCCCSC3=CC=CC=C3)OC1

InChI

InChI=1S/C22H25NO4S/c24-19(17-8-10-20-21(16-17)27-14-5-13-26-20)9-11-22(25)23-12-4-15-28-18-6-2-1-3-7-18/h1-3,6-8,10,16H,4-5,9,11-15H2,(H,23,25)