N-(2-phenylsulfanylethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-phenylsulfanylethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-phenylsulfanylethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(phenylthio)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-phenylsulfanylethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(phenylthio)ethyl]-piperonylamide Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C16H15NO3S/c18-16(12-6-7-14-15(10-12)20-11-19-14)17-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,17,18)