5-bromanyl-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-benzamide CAS Name: 5-bromo-2-methoxy-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 5-bromo-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxybenzamide Traditional Name: 5-bromo-N-(2-butyramido-1,3-benzothiazol-6-yl)-2-methoxy-benzamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H18BrN3O3S/c1-3-4-17(24)23-19-22-14-7-6-12(10-16(14)27-19)21-18(25)13-9-11(20)5-8-15(13)26-2/h5-10H,3-4H2,1-2H3,(H,21,25)(H,22,23,24)