N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxopropyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanoyl]phenyl]-2-methyl-propionamide Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H25NO4S/c1-14(2)22(25)23-17-7-5-16(6-8-17)21(24)15(3)28-18-9-10-19-20(13-18)27-12-4-11-26-19/h5-10,13-15H,4,11-12H2,1-3H3,(H,23,25)