2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H22BrN3O2S2 MolecularWeight: 456.42018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22BrN3O2S2/c1-21-14-7-6-13(19)10-15(14)26-18(21)20-16(23)11-25-12-17(24)22-8-4-2-3-5-9-22/h6-7,10H,2-5,8-9,11-12H2,1H3