N-(2-cyclohexylsulfanylethyl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-4-methyl-3-nitro-benzamide CAS Name: N-[2-(cyclohexylthio)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-4-methyl-3-nitro-benzamide Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O3S/c1-12-7-8-13(11-15(12)18(20)21)16(19)17-9-10-22-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10H2,1H3,(H,17,19)