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

Systemtic Name: 4-chloranyl-3-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyl-benzamide Openeye Name: 4-chloro-3-nitro-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]-N-pentyl-benzamide CAS Name: 4-chloro-3-nitro-N-[2-oxo-2-(2-thiazolylamino)ethyl]-N-pentylbenzamide IUPAC Name: 4-chloro-3-nitro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide Traditional Name: N-amyl-4-chloro-N-[2-keto-2-(thiazol-2-ylamino)ethyl]-3-nitro-benzamide Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O4S/c1-2-3-4-8-21(11-15(23)20-17-19-7-9-27-17)16(24)12-5-6-13(18)14(10-12)22(25)26/h5-7,9-10H,2-4,8,11H2,1H3,(H,19,20,23)