N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide Openeye Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide CAS Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide Traditional Name: 3-amoxy-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C22H26N2O2S2 MolecularWeight: 414.58404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCSC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCSC

InChI

InChI=1S/C22H26N2O2S2/c1-3-4-7-14-26-18-10-8-9-17(16-18)21(25)23-22-24(13-15-27-2)19-11-5-6-12-20(19)28-22/h5-6,8-12,16H,3-4,7,13-15H2,1-2H3