N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(benzylthio)-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CSCC3=CC=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CSCC3=CC=CC=C3)Br

InChI

InChI=1S/C17H15BrN2O3S/c18-14-7-16-15(22-11-23-16)6-13(14)8-19-20-17(21)10-24-9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,20,21)/b19-8+