N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-octylphenyl)benzamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-octylphenyl)benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-octylphenyl)benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-octylphenyl)benzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-octylphenyl)benzamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-octylphenyl)benzamide Formula: C29H32N2OS MolecularWeight: 456.64218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C29H32N2OS/c1-3-4-5-6-7-8-9-22-11-13-23(14-12-22)24-15-17-25(18-16-24)28(32)31-29-30-26-19-10-21(2)20-27(26)33-29/h10-20H,3-9H2,1-2H3,(H,30,31,32)