(2S)-1-cyclopentylcarbonyl-N-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-cyclopentylcarbonyl-N-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(cyclopentanecarbonyl)-N-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[cyclopentyl(oxo)methyl]-N-[2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(cyclopentanecarbonyl)-N-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(cyclopentanecarbonyl)-N-[2-[(4-nitrophenyl)thiocarbamoylamino]ethyl]pyrrolidine-2-carboxamide Formula: C20H22N5O4S MolecularWeight: 428.48478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N5O4S/c26-18(17-6-3-13-24(17)19(27)14-4-1-2-5-14)21-11-12-22-20(30)23-15-7-9-16(10-8-15)25(28)29/h1-2,4-5,7-10,17H,3,6,11-13H2,(H,21,26)(H2,22,23,30)/t17-/m0/s1