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

Systemtic Name: N-[(2S)-1-[2-[(4-nitrophenyl)carbamothioylamino]ethylamino]-1-oxidanylidene-propan-2-yl]cyclopentanecarboxamide Openeye Name: N-[(1S)-1-methyl-2-[2-[(4-nitrophenyl)carbamothioylamino]ethylamino]-2-oxo-ethyl]cyclopentanecarboxamide CAS Name: N-[(2S)-1-[2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide IUPAC Name: N-[(2S)-1-[2-[(4-nitrophenyl)carbamothioylamino]ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[2-[(4-nitrophenyl)thiocarbamoylamino]ethylamino]ethyl]cyclopentanecarboxamide Formula: C18H20N5O4S MolecularWeight: 402.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C]2[CH][CH][CH][CH]2

Isomeric SMILES

C[C@@H](C(=O)NCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C]2[CH][CH][CH][CH]2

InChI

InChI=1S/C18H20N5O4S/c1-12(21-17(25)13-4-2-3-5-13)16(24)19-10-11-20-18(28)22-14-6-8-15(9-7-14)23(26)27/h2-9,12H,10-11H2,1H3,(H,19,24)(H,21,25)(H2,20,22,28)/t12-/m0/s1