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

Systemtic Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]pentanamide IUPAC Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]valeramide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4S/c1-2-3-9-25(30)28-20-10-13-22(14-11-20)34-26(19-7-5-4-6-8-19)27(31)29-21-12-15-23-24(18-21)33-17-16-32-23/h4-8,10-15,18,26H,2-3,9,16-17H2,1H3,(H,28,30)(H,29,31)