2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O3S2/c1-3-16(28-20-22-13-7-5-6-8-15(13)26-20)18(24)23-19-21-14-10-9-12(25-4-2)11-17(14)27-19/h5-11,16H,3-4H2,1-2H3,(H,21,23,24)