N-[4-[1-[2-(4-nitrophenyl)sulfanylpropanoylamino]ethyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[1-[2-(4-nitrophenyl)sulfanylpropanoylamino]ethyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[1-[2-(4-nitrophenyl)sulfanylpropanoylamino]ethyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[1-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]ethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[1-[2-(4-nitrophenyl)sulfanylpropanoylamino]ethyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[1-[2-[(4-nitrophenyl)thio]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-13(15-5-7-17(8-6-15)23-21(26)16-3-4-16)22-20(25)14(2)29-19-11-9-18(10-12-19)24(27)28/h5-14,16H,3-4H2,1-2H3,(H,22,25)(H,23,26)