N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-ethanamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-ethanamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-acetamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]acetamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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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)N3CCCCC3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCCC3

InChI

InChI=1S/C19H20N4O4S2/c1-2-8-22-15-7-6-14(23(26)27)11-16(15)29-19(22)20-17(24)12-28-13-18(25)21-9-4-3-5-10-21/h1,6-7,11H,3-5,8-10,12-13H2