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

Systemtic Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]phenyl]-3-methyl-butyramide Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H25NO4S/c1-15(2)12-22(25)23-17-6-4-16(5-7-17)19(24)14-28-18-8-9-20-21(13-18)27-11-3-10-26-20/h4-9,13,15H,3,10-12,14H2,1-2H3,(H,23,25)