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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-propyl-acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-propylacetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-propylacetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-propyl-acetamide Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S2/c1-2-5-13-11(16)7-19-12-14-9-4-3-8(15(17)18)6-10(9)20-12/h3-4,6H,2,5,7H2,1H3,(H,13,16)