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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N4O4S2/c1-20-14-7-6-13(22(25)26)10-15(14)28-18(20)19-16(23)11-27-12-17(24)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9,11-12H2,1H3