3,5-dinitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyl-benzamide

Systemtic Name: 3,5-dinitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyl-benzamide Openeye Name: 3,5-dinitro-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]-N-pentyl-benzamide CAS Name: 3,5-dinitro-N-[2-oxo-2-(2-thiazolylamino)ethyl]-N-pentylbenzamide IUPAC Name: 3,5-dinitro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide Traditional Name: N-amyl-N-[2-keto-2-(thiazol-2-ylamino)ethyl]-3,5-dinitro-benzamide Formula: C17H19N5O6S MolecularWeight: 421.42766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O6S/c1-2-3-4-6-20(11-15(23)19-17-18-5-7-29-17)16(24)12-8-13(21(25)26)10-14(9-12)22(27)28/h5,7-10H,2-4,6,11H2,1H3,(H,18,19,23)