N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O)OC

InChI

InChI=1S/C23H25N3O4S2/c1-23(2,29-3)11-13-31-21-25-16-9-8-15(14-19(16)32-21)24-20(27)10-12-26-17-6-4-5-7-18(17)30-22(26)28/h4-9,14H,10-13H2,1-3H3,(H,24,27)