2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(5-methylhexan-2-yl)ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(5-methylhexan-2-yl)ethanamide Openeye Name: N-(1,4-dimethylpentyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-(5-methylhexan-2-yl)acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(5-methylhexan-2-yl)acetamide Traditional Name: N-(1,4-dimethylpentyl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSCC1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC(C)NC(=O)CSCC1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H26N2O4S/c1-12(2)5-6-13(3)18-17(20)11-24-10-14-7-8-16(23-4)15(9-14)19(21)22/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,18,20)