4-chloranyl-N-(2-methylpropyl)-3-nitro-N-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide

Systemtic Name: 4-chloranyl-N-(2-methylpropyl)-3-nitro-N-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide Openeye Name: 4-chloro-N-isobutyl-3-nitro-N-[2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl]benzamide CAS Name: 4-chloro-N-(2-methylpropyl)-3-nitro-N-[2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl]benzamide IUPAC Name: 4-chloro-N-(2-methylpropyl)-3-nitro-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide Traditional Name: 4-chloro-N-isobutyl-N-[2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl]-3-nitro-benzamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)NC1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(=O)NC1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN4O4S/c1-14(2)11-26(21(29)16-8-9-17(23)19(10-16)27(30)31)12-20(28)25-22-24-18(13-32-22)15-6-4-3-5-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,24,25,28)