4-(4-bromophenyl)sulfanyl-N-(2-methylcyclohexyl)-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-(2-methylcyclohexyl)-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-(2-methylcyclohexyl)-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-(2-methylcyclohexyl)-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-(2-methylcyclohexyl)-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-(2-methylcyclohexyl)-3-nitro-benzamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN2O3S/c1-13-4-2-3-5-17(13)22-20(24)14-6-11-19(18(12-14)23(25)26)27-16-9-7-15(21)8-10-16/h6-13,17H,2-5H2,1H3,(H,22,24)