N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxy-benzamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxy-benzamide Openeye Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxy-benzamide CAS Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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