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

Systemtic Name: N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-phenyl-acetamide Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S2/c19-9-4-10-21(13-5-2-1-3-6-13)17(23)12-26-18-20-15-8-7-14(22(24)25)11-16(15)27-18/h1-3,5-8,11H,4,10,12H2