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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-5-bromo-2-methoxy-benzamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C22H17BrN2O2S/c1-13-11-14(22-25-18-5-3-4-6-20(18)28-22)7-9-17(13)24-21(26)16-12-15(23)8-10-19(16)27-2/h3-12H,1-2H3,(H,24,26)