N-(2,4-dimethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide CAS Name: N-(2,4-dimethylphenyl)-4-[(4-methoxyphenyl)methylthio]-3-nitrobenzamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitrobenzamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-(p-anisylthio)benzamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H22N2O4S/c1-15-4-10-20(16(2)12-15)24-23(26)18-7-11-22(21(13-18)25(27)28)30-14-17-5-8-19(29-3)9-6-17/h4-13H,14H2,1-3H3,(H,24,26)