N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S2/c1-27-16-6-3-2-5-15(16)22(10-4-9-20)18(24)12-28-19-21-14-8-7-13(23(25)26)11-17(14)29-19/h2-3,5-8,11H,4,10,12H2,1H3