2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(phenylmethyl)butanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)butanamide Traditional Name: N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)butyramide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21NO3S/c1-2-18(19(21)20-13-14-6-4-3-5-7-14)24-15-8-9-16-17(12-15)23-11-10-22-16/h3-9,12,18H,2,10-11,13H2,1H3,(H,20,21)