N-cyclohexyl-2-[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[2-keto-2-[(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)amino]ethyl]thio]acetamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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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)NC3CCCCC3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)NC3CCCCC3

InChI

InChI=1S/C20H22N4O4S2/c1-2-10-23-16-9-8-15(24(27)28)11-17(16)30-20(23)22-19(26)13-29-12-18(25)21-14-6-4-3-5-7-14/h1,8-9,11,14H,3-7,10,12-13H2,(H,21,25)