N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide Openeye Name: N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-3-nitro-N-(2-thienylmethyl)benzamide CAS Name: N-[(2-methoxyphenyl)methyl]-4-(methylthio)-3-nitro-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 4-(methylthio)-3-nitro-N-o-anisyl-N-(2-thenyl)benzamide Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC2=CC=CS2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CN(CC2=CC=CS2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4S2/c1-27-19-8-4-3-6-16(19)13-22(14-17-7-5-11-29-17)21(24)15-9-10-20(28-2)18(12-15)23(25)26/h3-12H,13-14H2,1-2H3