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

Systemtic Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]pentanamide IUPAC Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[[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(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

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

InChI

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