1-[(4-fluorophenyl)methyl]-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]thiourea Formula: C19H20FN5O3S MolecularWeight: 417.457203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN5O3S/c20-14-5-3-13(4-6-14)12-21-19(29)23-22-18(26)16-11-15(25(27)28)7-8-17(16)24-9-1-2-10-24/h3-8,11H,1-2,9-10,12H2,(H,22,26)(H2,21,23,29)