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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-bromo-4-methoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(3-bromo-4-methoxy-benzylidene)amino]acetamide Formula: C17H14BrN3O2S2 MolecularWeight: 436.34596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O2S2/c1-23-14-7-6-11(8-12(14)18)9-19-21-16(22)10-24-17-20-13-4-2-3-5-15(13)25-17/h2-9H,10H2,1H3,(H,21,22)/b19-9+