N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-bromanyl-4-methoxy-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-3-bromo-4-methoxy-benzamide Formula: C22H17BrN2O3S MolecularWeight: 469.35098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C22H17BrN2O3S/c1-27-18-9-7-13(11-15(18)23)21(26)24-17-12-14(8-10-19(17)28-2)22-25-16-5-3-4-6-20(16)29-22/h3-12H,1-2H3,(H,24,26)