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

Systemtic Name: N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide CAS Name: N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methylthio]-3-nitrobenzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-(p-anisylthio)-N-p-phenetyl-benzamide Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O5S/c1-3-30-20-11-7-18(8-12-20)24-23(26)17-6-13-22(21(14-17)25(27)28)31-15-16-4-9-19(29-2)10-5-16/h4-14H,3,15H2,1-2H3,(H,24,26)