4-(3-methylbutylsulfanyl)-3-nitro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-[4-(tetrahydrofuran-2-ylmethylcarbamoylamino)phenyl]benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[4-[[oxo-(2-oxolanylmethylamino)methyl]amino]phenyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-[4-(tetrahydrofurfurylcarbamoylamino)phenyl]benzamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5S/c1-16(2)11-13-34-22-10-5-17(14-21(22)28(31)32)23(29)26-18-6-8-19(9-7-18)27-24(30)25-15-20-4-3-12-33-20/h5-10,14,16,20H,3-4,11-13,15H2,1-2H3,(H,26,29)(H2,25,27,30)