4-(4-bromophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-3-nitro-N-p-anisyl-benzamide Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H17BrN2O4S/c1-28-17-7-2-14(3-8-17)13-23-21(25)15-4-11-20(19(12-15)24(26)27)29-18-9-5-16(22)6-10-18/h2-12H,13H2,1H3,(H,23,25)