N-(6-acetamido-1,3-benzothiazol-2-yl)-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-5-bromo-2-methoxy-3-methyl-benzamide Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C)OC

InChI

InChI=1S/C18H16BrN3O3S/c1-9-6-11(19)7-13(16(9)25-3)17(24)22-18-21-14-5-4-12(20-10(2)23)8-15(14)26-18/h4-8H,1-3H3,(H,20,23)(H,21,22,24)