N-(1,3-benzodioxol-5-yl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(butanoylamino)phenyl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-butyramidophenyl)thio]butyramide Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O4S/c1-3-6-20(24)22-14-7-5-8-16(11-14)28-19(4-2)21(25)23-15-9-10-17-18(12-15)27-13-26-17/h5,7-12,19H,3-4,6,13H2,1-2H3,(H,22,24)(H,23,25)