N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide

Systemtic Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide Openeye Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide CAS Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide IUPAC Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide Traditional Name: 3-amoxy-N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C24H30N2O3S2 MolecularWeight: 458.6366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OCC)CCSC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OCC)CCSC

InChI

InChI=1S/C24H30N2O3S2/c1-4-6-7-14-29-19-10-8-9-18(16-19)23(27)25-24-26(13-15-30-3)21-12-11-20(28-5-2)17-22(21)31-24/h8-12,16-17H,4-7,13-15H2,1-3H3