N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]phenyl]-3-methyl-butyramide Formula: C21H23NO4S MolecularWeight: 385.47662

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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)OCCO3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23NO4S/c1-14(2)11-21(24)22-16-5-3-15(4-6-16)18(23)13-27-17-7-8-19-20(12-17)26-10-9-25-19/h3-8,12,14H,9-11,13H2,1-2H3,(H,22,24)