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

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-heptyl-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-heptyl-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-heptyl-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-heptyl-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-heptyl-3-nitro-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S/c1-2-3-4-5-6-13-22-20(24)15-7-12-19(18(14-15)23(25)26)27-17-10-8-16(21)9-11-17/h7-12,14H,2-6,13H2,1H3,(H,22,24)