4-(3-methylbutylsulfanyl)-3-nitro-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide Traditional Name: 4-(isoamylthio)-N-(2-keto-2-mesidino-ethyl)-3-nitro-benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N3O4S/c1-14(2)8-9-31-20-7-6-18(12-19(20)26(29)30)23(28)24-13-21(27)25-22-16(4)10-15(3)11-17(22)5/h6-7,10-12,14H,8-9,13H2,1-5H3,(H,24,28)(H,25,27)