2-[(4-nitro-1,3-benzothiazol-5-yl)amino]-N-propyl-ethanamide

Systemtic Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]-N-propyl-ethanamide Openeye Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]-N-propyl-acetamide CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]-N-propylacetamide IUPAC Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]-N-propylacetamide Traditional Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)amino]-N-propyl-acetamide Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-2-5-13-10(17)6-14-8-3-4-9-11(15-7-20-9)12(8)16(18)19/h3-4,7,14H,2,5-6H2,1H3,(H,13,17)