N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide Openeye Name: N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide CAS Name: N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methylthio]-3-nitrobenzamide IUPAC Name: N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitrobenzamide Traditional Name: N-(3-methoxyphenyl)-3-nitro-4-(p-anisylthio)benzamide Formula: C22H20N2O5S MolecularWeight: 424.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5S/c1-28-18-9-6-15(7-10-18)14-30-21-11-8-16(12-20(21)24(26)27)22(25)23-17-4-3-5-19(13-17)29-2/h3-13H,14H2,1-2H3,(H,23,25)