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

Systemtic Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-octyl-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-octyl-benzamide CAS Name: 4-[(4-bromophenyl)thio]-3-nitro-N-octylbenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-octylbenzamide Traditional Name: 4-[(4-bromophenyl)thio]-3-nitro-N-octyl-benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H25BrN2O3S/c1-2-3-4-5-6-7-14-23-21(25)16-8-13-20(19(15-16)24(26)27)28-18-11-9-17(22)10-12-18/h8-13,15H,2-7,14H2,1H3,(H,23,25)