N-methyl-4-(3-methylbutylsulfanyl)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-benzamide

Systemtic Name: N-methyl-4-(3-methylbutylsulfanyl)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-methyl-N-[(5-methyl-2-furyl)methyl]-3-nitro-benzamide CAS Name: N-methyl-4-(3-methylbutylthio)-N-[(5-methyl-2-furanyl)methyl]-3-nitrobenzamide IUPAC Name: N-methyl-4-(3-methylbutylsulfanyl)-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-methyl-N-[(5-methyl-2-furyl)methyl]-3-nitro-benzamide Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O4S/c1-13(2)9-10-26-18-8-6-15(11-17(18)21(23)24)19(22)20(4)12-16-7-5-14(3)25-16/h5-8,11,13H,9-10,12H2,1-4H3