4-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methyl-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methyl-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-cyclohexyl-N-methyl-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methyl-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-cyclohexyl-N-methyl-3-nitro-benzamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN2O3S/c1-22(16-5-3-2-4-6-16)20(24)14-7-12-19(18(13-14)23(25)26)27-17-10-8-15(21)9-11-17/h7-13,16H,2-6H2,1H3