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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(propylcarbamoyl)acetamide Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4S2/c1-2-5-14-12(19)16-11(18)7-22-13-15-9-4-3-8(17(20)21)6-10(9)23-13/h3-4,6H,2,5,7H2,1H3,(H2,14,16,18,19)