1-[[(2S)-1-cyclopentylcarbonylpyrrolidin-2-yl]carbonylamino]-3-(4-nitrophenyl)thiourea; iron(2+)

Systemtic Name: 1-[[(2S)-1-cyclopentylcarbonylpyrrolidin-2-yl]carbonylamino]-3-(4-nitrophenyl)thiourea; iron(2+) Openeye Name: ferrous 1-[[(2S)-1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[[(2S)-1-[cyclopentyl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-nitrophenyl)thiourea; iron(2+) IUPAC Name: 1-[[(2S)-1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]amino]-3-(4-nitrophenyl)thiourea; iron(2+) Traditional Name: ferrous 1-[[(2S)-1-(cyclopentanecarbonyl)prolyl]amino]-3-(4-nitrophenyl)thiourea Formula: C36H36FeN10O8S2+2 MolecularWeight: 856.70824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)[C]2[CH][CH][CH][CH]2)C(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-].C1CC(N(C1)C(=O)[C]2[CH][CH][CH][CH]2)C(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-].[Fe+2]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C]2[CH][CH][CH][CH]2)C(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-].C1C[C@H](N(C1)C(=O)[C]2[CH][CH][CH][CH]2)C(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-].[Fe+2]

InChI

InChI=1S/2C18H18N5O4S.Fe/c2*24-16(15-6-3-11-22(15)17(25)12-4-1-2-5-12)20-21-18(28)19-13-7-9-14(10-8-13)23(26)27;/h2*1-2,4-5,7-10,15H,3,6,11H2,(H,20,24)(H2,19,21,28);/q;;+2/t2*15-;/m00./s1