N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide

Systemtic Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide Openeye Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]butanamide CAS Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]butanamide IUPAC Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide Traditional Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]butyramide Formula: C26H26N2O4S MolecularWeight: 462.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H26N2O4S/c1-2-7-24(29)27-19-10-6-11-21(16-19)33-25(18-8-4-3-5-9-18)26(30)28-20-12-13-22-23(17-20)32-15-14-31-22/h3-6,8-13,16-17,25H,2,7,14-15H2,1H3,(H,27,29)(H,28,30)