N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxy-benzamide

Systemtic Name: N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxy-benzamide Openeye Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxy-benzamide CAS Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide IUPAC Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C22H25BrN2O2S2 MolecularWeight: 493.4801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O2S2/c1-3-4-5-13-27-18-9-6-16(7-10-18)21(26)24-22-25(12-14-28-2)19-11-8-17(23)15-20(19)29-22/h6-11,15H,3-5,12-14H2,1-2H3