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

Systemtic Name: 1-(4-fluorophenyl)-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]thiourea CAS Name: 1-(4-fluorophenyl)-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]thiourea Formula: C18H18FN5O3S MolecularWeight: 403.430623

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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)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NNC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN5O3S/c19-12-3-5-13(6-4-12)20-18(28)22-21-17(25)15-11-14(24(26)27)7-8-16(15)23-9-1-2-10-23/h3-8,11H,1-2,9-10H2,(H,21,25)(H2,20,22,28)