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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3,4,5-triethoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3,4,5-triethoxy-benzamide Formula: C26H25BrN2O4S MolecularWeight: 541.4567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H25BrN2O4S/c1-4-31-21-13-16(14-22(32-5-2)24(21)33-6-3)25(30)28-19-12-11-17(27)15-18(19)26-29-20-9-7-8-10-23(20)34-26/h7-15H,4-6H2,1-3H3,(H,28,30)