4-(4-bromophenyl)sulfanyl-N-cycloheptyl-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN2O3S/c21-15-8-10-17(11-9-15)27-19-12-7-14(13-18(19)23(25)26)20(24)22-16-5-3-1-2-4-6-16/h7-13,16H,1-6H2,(H,22,24)