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

Systemtic Name: N-cyclooctyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-cyclooctyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-cyclooctyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-cyclooctyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-cyclooctyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3S2/c21-16(18-12-6-4-2-1-3-5-7-12)11-24-17-19-14-9-8-13(20(22)23)10-15(14)25-17/h8-10,12H,1-7,11H2,(H,18,21)