1-[(4-bromophenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-keto-nicotinamide Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O3S/c1-2-29-17-8-9-18-19(11-17)30-22(24-18)25-21(28)15-5-10-20(27)26(13-15)12-14-3-6-16(23)7-4-14/h3-11,13H,2,12H2,1H3,(H,24,25,28)