N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-ethanamide

Systemtic Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-ethanamide Openeye Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-acetamide CAS Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide IUPAC Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide Traditional Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-acetamide Formula: C26H26N2OS2 MolecularWeight: 446.62744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CCSC

InChI

InChI=1S/C26H26N2OS2/c1-3-19-14-15-22-23(18-19)31-26(28(22)16-17-30-2)27-25(29)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18,24H,3,16-17H2,1-2H3