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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]acetamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S2/c1-2-9-23-16-8-7-15(24(27)28)12-17(16)30-20(23)21-18(25)13-29-14-19(26)22-10-5-3-4-6-11-22/h2,7-8,12H,1,3-6,9-11,13-14H2