N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2-methylpropylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2-methylpropylsulfanyl)-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-isobutylsulfanyl-N-methyl-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2-methylpropylthio)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2-methylpropylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isobutylthio)-N-methyl-3-nitro-N-piperonyl-benzamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)C(=O)N(C)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)C(=O)N(C)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-13(2)11-28-19-7-5-15(9-16(19)22(24)25)20(23)21(3)10-14-4-6-17-18(8-14)27-12-26-17/h4-9,13H,10-12H2,1-3H3