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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-4-isopentylsulfanyl-N-methyl-3-nitro-benzamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-methyl-3-nitro-N-o-veratryl-benzamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)CC2=C(C(=CC=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)CC2=C(C(=CC=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O5S/c1-15(2)11-12-30-20-10-9-16(13-18(20)24(26)27)22(25)23(3)14-17-7-6-8-19(28-4)21(17)29-5/h6-10,13,15H,11-12,14H2,1-5H3