2-chloranyl-N-hexyl-4-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

Systemtic Name: 2-chloranyl-N-hexyl-4-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Openeye Name: 2-chloro-N-hexyl-4-nitro-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]benzamide CAS Name: 2-chloro-N-hexyl-4-nitro-N-[2-oxo-2-(2-thiazolylamino)ethyl]benzamide IUPAC Name: 2-chloro-N-hexyl-4-nitro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Traditional Name: 2-chloro-N-hexyl-N-[2-keto-2-(thiazol-2-ylamino)ethyl]-4-nitro-benzamide Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O4S/c1-2-3-4-5-9-22(12-16(24)21-18-20-8-10-28-18)17(25)14-7-6-13(23(26)27)11-15(14)19/h6-8,10-11H,2-5,9,12H2,1H3,(H,20,21,24)