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

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyl-benzamide Openeye Name: 3-nitro-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]-N-pentyl-benzamide CAS Name: 3-nitro-N-[2-oxo-2-(2-thiazolylamino)ethyl]-N-pentylbenzamide IUPAC Name: 3-nitro-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-nitro-benzamide Formula: C17H20N4O4S MolecularWeight: 376.4301

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-2-3-4-9-20(12-15(22)19-17-18-8-10-26-17)16(23)13-6-5-7-14(11-13)21(24)25/h5-8,10-11H,2-4,9,12H2,1H3,(H,18,19,22)