N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylsulfanyl-propanamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-phenylsulfanyl-propanamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-(phenylthio)propanamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylsulfanylpropanamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-(phenylthio)propionamide 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)CCSC3=CC=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CCSC3=CC=CC=C3)Br

InChI

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