2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butyramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26N2O4S/c1-3-6-21(25)23-15-7-5-8-17(13-15)29-20(4-2)22(26)24-16-9-10-18-19(14-16)28-12-11-27-18/h5,7-10,13-14,20H,3-4,6,11-12H2,1-2H3,(H,23,25)(H,24,26)