2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-bromanyl-4-methoxy-3-oxidanyl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-bromanyl-4-methoxy-3-oxidanyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-bromo-3-hydroxy-4-methoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(2-bromo-3-hydroxy-4-methoxy-benzylidene)amino]acetamide Formula: C17H14BrN3O3S2 MolecularWeight: 452.34536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)Br)O

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)Br)O

InChI

InChI=1S/C17H14BrN3O3S2/c1-24-12-7-6-10(15(18)16(12)23)8-19-21-14(22)9-25-17-20-11-4-2-3-5-13(11)26-17/h2-8,23H,9H2,1H3,(H,21,22)/b19-8+