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

Systemtic Name: N-(2-methylpropyl)-3-nitro-N-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide Openeye Name: N-isobutyl-3-nitro-N-[2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl]benzamide CAS Name: N-(2-methylpropyl)-3-nitro-N-[2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl]benzamide IUPAC Name: N-(2-methylpropyl)-3-nitro-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide Traditional Name: N-isobutyl-N-[2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl]-3-nitro-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/c1-15(2)12-25(21(28)17-9-6-10-18(11-17)26(29)30)13-20(27)24-22-23-19(14-31-22)16-7-4-3-5-8-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,24,27)