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

Systemtic Name: N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-[(2-nitrophenyl)methyl]benzamide Openeye Name: 4-isopentylsulfanyl-N-methyl-3-nitro-N-[(2-nitrophenyl)methyl]benzamide CAS Name: N-methyl-4-(3-methylbutylthio)-3-nitro-N-[(2-nitrophenyl)methyl]benzamide IUPAC Name: N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-[(2-nitrophenyl)methyl]benzamide Traditional Name: 4-(isoamylthio)-N-methyl-3-nitro-N-(2-nitrobenzyl)benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-14(2)10-11-29-19-9-8-15(12-18(19)23(27)28)20(24)21(3)13-16-6-4-5-7-17(16)22(25)26/h4-9,12,14H,10-11,13H2,1-3H3