1-butyl-N-[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]cyclopropane-1-carboxamide

Systemtic Name: 1-butyl-N-[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]cyclopropane-1-carboxamide Openeye Name: 1-butyl-N-(4-isobutylsulfanyl-3-nitro-phenyl)cyclopropanecarboxamide CAS Name: 1-butyl-N-[4-(2-methylpropylthio)-3-nitrophenyl]-1-cyclopropanecarboxamide IUPAC Name: 1-butyl-N-[4-(2-methylpropylsulfanyl)-3-nitrophenyl]cyclopropane-1-carboxamide Traditional Name: 1-butyl-N-[4-(isobutylthio)-3-nitro-phenyl]cyclopropanecarboxamide Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC1)C(=O)NC2=CC(=C(C=C2)SCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1(CC1)C(=O)NC2=CC(=C(C=C2)SCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H26N2O3S/c1-4-5-8-18(9-10-18)17(21)19-14-6-7-16(24-12-13(2)3)15(11-14)20(22)23/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,19,21)