N-hexyl-3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-hexyl-3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide Openeye Name: N-hexyl-3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide CAS Name: N-hexyl-3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzamide IUPAC Name: N-hexyl-3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide Traditional Name: N-hexyl-3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzamide Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC3=C(C=CC=C3O2)C

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC3=C(C=CC=C3O2)C

InChI

InChI=1S/C22H26N2O2S/c1-3-4-5-6-13-23-21(25)18-11-8-10-17(14-18)15-27-22-24-20-16(2)9-7-12-19(20)26-22/h7-12,14H,3-6,13,15H2,1-2H3,(H,23,25)