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

Systemtic Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-N-propyl-acetamide Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4S2/c1-2-5-15-12(19)7-16-13(20)8-23-14-17-10-4-3-9(18(21)22)6-11(10)24-14/h3-4,6H,2,5,7-8H2,1H3,(H,15,19)(H,16,20)