N-[(2S)-1-[2-[(4-nitrophenyl)carbamothioylamino]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]cyclopentanecarboxamide

Systemtic Name: N-[(2S)-1-[2-[(4-nitrophenyl)carbamothioylamino]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]cyclopentanecarboxamide Openeye Name: N-[(1S)-1-benzyl-2-[2-[(4-nitrophenyl)carbamothioylamino]ethylamino]-2-oxo-ethyl]cyclopentanecarboxamide CAS Name: N-[(2S)-1-[2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide IUPAC Name: N-[(2S)-1-[2-[(4-nitrophenyl)carbamothioylamino]ethylamino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[2-[(4-nitrophenyl)thiocarbamoylamino]ethylamino]ethyl]cyclopentanecarboxamide Formula: C24H24N5O4S MolecularWeight: 478.54346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C]3[CH][CH][CH][CH]3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C]3[CH][CH][CH][CH]3

InChI

InChI=1S/C24H24N5O4S/c30-22(18-8-4-5-9-18)28-21(16-17-6-2-1-3-7-17)23(31)25-14-15-26-24(34)27-19-10-12-20(13-11-19)29(32)33/h1-13,21H,14-16H2,(H,25,31)(H,28,30)(H2,26,27,34)/t21-/m0/s1