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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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