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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-3-propoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-propoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-propoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-propoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-propoxy-benzamide Formula: C23H19BrN2O2S MolecularWeight: 467.37816

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H19BrN2O2S/c1-2-12-28-17-7-5-6-15(13-17)22(27)25-19-11-10-16(24)14-18(19)23-26-20-8-3-4-9-21(20)29-23/h3-11,13-14H,2,12H2,1H3,(H,25,27)