N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-5-nitro-2-phenylsulfanyl-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-5-nitro-2-phenylsulfanyl-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-5-nitro-2-phenylsulfanyl-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-5-nitro-2-(phenylthio)benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-5-nitro-2-phenylsulfanylbenzamide Traditional Name: N-methyl-5-nitro-2-(phenylthio)-N-veratryl-benzamide Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

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