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

Systemtic Name: N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-butoxy-benzamide Openeye Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-butoxy-benzamide CAS Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-butoxybenzamide IUPAC Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-butoxybenzamide Traditional Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-butoxy-benzamide Formula: C21H23BrN2O2S2 MolecularWeight: 479.45352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCSC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCSC

InChI

InChI=1S/C21H23BrN2O2S2/c1-3-4-12-26-17-8-5-15(6-9-17)20(25)23-21-24(11-13-27-2)18-10-7-16(22)14-19(18)28-21/h5-10,14H,3-4,11-13H2,1-2H3