4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-1-(5-bromanylthiophen-2-yl)ethylideneamino]benzamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-1-(5-bromanylthiophen-2-yl)ethylideneamino]benzamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-1-(5-bromo-2-thienyl)ethylideneamino]benzamide CAS Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(E)-1-(5-bromo-2-thiophenyl)ethylideneamino]benzamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]benzamide Traditional Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(E)-1-(5-bromo-2-thienyl)ethylideneamino]benzamide Formula: C21H16BrN3O2S2 MolecularWeight: 486.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3O2)C4=CC=C(S4)Br

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3O2)/C4=CC=C(S4)Br

InChI

InChI=1S/C21H16BrN3O2S2/c1-13(18-10-11-19(22)29-18)24-25-20(26)15-8-6-14(7-9-15)12-28-21-23-16-4-2-3-5-17(16)27-21/h2-11H,12H2,1H3,(H,25,26)/b24-13+