4-(3-methylbutylsulfanyl)-3-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-(1-tetrahydrofuran-2-ylethyl)benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[1-(2-oxolanyl)ethyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-[1-(tetrahydrofuryl)ethyl]benzamide Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC(C)C2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC(C)C2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C18H26N2O4S/c1-12(2)8-10-25-17-7-6-14(11-15(17)20(22)23)18(21)19-13(3)16-5-4-9-24-16/h6-7,11-13,16H,4-5,8-10H2,1-3H3,(H,19,21)