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

Systemtic Name: N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethoxy-benzamide Openeye Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethoxy-benzamide CAS Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide IUPAC Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide Traditional Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,4-dimethoxy-benzamide Formula: C19H19BrN2O3S2 MolecularWeight: 467.39976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCSC)OC

InChI

InChI=1S/C19H19BrN2O3S2/c1-24-15-7-4-12(10-16(15)25-2)18(23)21-19-22(8-9-26-3)14-6-5-13(20)11-17(14)27-19/h4-7,10-11H,8-9H2,1-3H3