3-bromanyl-4-butoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide Formula: C25H23BrN2O2S MolecularWeight: 495.43132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Br

InChI

InChI=1S/C25H23BrN2O2S/c1-3-4-13-30-22-12-8-18(15-20(22)26)24(29)27-19-9-6-17(7-10-19)25-28-21-11-5-16(2)14-23(21)31-25/h5-12,14-15H,3-4,13H2,1-2H3,(H,27,29)