4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N'-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzohydrazide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide Formula: C23H18BrN3O3S2 MolecularWeight: 528.44132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)C=C(C1=O)Br

InChI

InChI=1S/C23H18BrN3O3S2/c1-30-19-11-15(10-17(24)21(19)28)12-25-27-22(29)16-8-6-14(7-9-16)13-31-23-26-18-4-2-3-5-20(18)32-23/h2-12,25H,13H2,1H3,(H,27,29)