4-(4-bromophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-(2,3-dimethylcyclohexyl)-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-(2,3-dimethylcyclohexyl)-3-nitro-benzamide Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN2O3S/c1-13-4-3-5-18(14(13)2)23-21(25)15-6-11-20(19(12-15)24(26)27)28-17-9-7-16(22)8-10-17/h6-14,18H,3-5H2,1-2H3,(H,23,25)