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

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanyl-propanamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-phenylsulfanyl-propanamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(phenylthio)propanamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylpropanamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-(phenylthio)propionamide Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=CC1=CC2=C(C=C1Br)OCO2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N/N=C/C1=CC2=C(C=C1Br)OCO2)SC3=CC=CC=C3

InChI

InChI=1S/C17H15BrN2O3S/c1-11(24-13-5-3-2-4-6-13)17(21)20-19-9-12-7-15-16(8-14(12)18)23-10-22-15/h2-9,11H,10H2,1H3,(H,20,21)/b19-9+