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

Systemtic Name: N-[6-bromanyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methoxy-benzamide Openeye Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methoxy-benzamide CAS Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide IUPAC Name: N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide Traditional Name: N-[6-bromo-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-methoxy-benzamide Formula: C18H17BrN2O2S2 MolecularWeight: 437.37378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O2S2/c1-23-14-5-3-4-12(10-14)17(22)20-18-21(8-9-24-2)15-7-6-13(19)11-16(15)25-18/h3-7,10-11H,8-9H2,1-2H3