N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]acetamide IUPAC Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide Traditional Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]acetamide Formula: C22H30BrN3O3S2 MolecularWeight: 528.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C22H30BrN3O3S2/c1-4-29-8-7-26-18-6-5-17(23)10-19(18)31-22(26)24-20(27)13-30-14-21(28)25-11-15(2)9-16(3)12-25/h5-6,10,15-16H,4,7-9,11-14H2,1-3H3