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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N4O4S2/c1-2-22-15-8-7-14(23(26)27)11-16(15)29-19(22)20-17(24)12-28-13-18(25)21-9-5-3-4-6-10-21/h7-8,11H,2-6,9-10,12-13H2,1H3