N-[[2-(phenylmethyl)-6-sulfanyl-1,4-benzodioxin-3-yl]methyl]ethanamide

Systemtic Name: N-[[2-(phenylmethyl)-6-sulfanyl-1,4-benzodioxin-3-yl]methyl]ethanamide Openeye Name: N-[(2-benzyl-6-sulfanyl-1,4-benzodioxin-3-yl)methyl]acetamide CAS Name: N-[[6-mercapto-2-(phenylmethyl)-1,4-benzodioxin-3-yl]methyl]acetamide IUPAC Name: N-[(2-benzyl-6-sulfanyl-1,4-benzodioxin-3-yl)methyl]acetamide Traditional Name: N-[(2-benzyl-6-mercapto-1,4-benzodioxin-3-yl)methyl]acetamide Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(OC2=C(O1)C=C(C=C2)S)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCC1=C(OC2=C(O1)C=C(C=C2)S)CC3=CC=CC=C3

InChI

InChI=1S/C18H17NO3S/c1-12(20)19-11-18-16(9-13-5-3-2-4-6-13)21-15-8-7-14(23)10-17(15)22-18/h2-8,10,23H,9,11H2,1H3,(H,19,20)