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

Systemtic Name: 4-chloranyl-N-hexyl-3-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Openeye Name: 4-chloro-N-hexyl-3-nitro-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]benzamide CAS Name: 4-chloro-N-hexyl-3-nitro-N-[2-oxo-2-(2-thiazolylamino)ethyl]benzamide IUPAC Name: 4-chloro-N-hexyl-3-nitro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Traditional Name: 4-chloro-N-hexyl-N-[2-keto-2-(thiazol-2-ylamino)ethyl]-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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