2-(4-nitrophenyl)sulfanyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[4-(tetrahydrofuran-2-ylmethylcarbamoylamino)phenyl]propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[4-[[oxo-(2-oxolanylmethylamino)methyl]amino]phenyl]propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[4-(tetrahydrofurfurylcarbamoylamino)phenyl]propionamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)NCC2CCCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)NCC2CCCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-14(31-19-10-8-17(9-11-19)25(28)29)20(26)23-15-4-6-16(7-5-15)24-21(27)22-13-18-3-2-12-30-18/h4-11,14,18H,2-3,12-13H2,1H3,(H,23,26)(H2,22,24,27)