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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-3,5-bis(bromanyl)-2-methoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3,5-dibromo-2-methoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3,5-dibromo-2-methoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3,5-dibromo-2-methoxy-benzamide Formula: C21H13Br3N2O2S MolecularWeight: 597.11712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3)Br)Br

InChI

InChI=1S/C21H13Br3N2O2S/c1-28-19-14(9-12(23)10-15(19)24)20(27)25-16-7-6-11(22)8-13(16)21-26-17-4-2-3-5-18(17)29-21/h2-10H,1H3,(H,25,27)