(4-nitrophenyl)methyl N'-cyclopentylcarbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 3-cyclopentyl-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 3-cyclopentyl-2-(4-nitrobenzyl)isothiourea Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O2S/c14-13(15-11-3-1-2-4-11)19-9-10-5-7-12(8-6-10)16(17)18/h5-8,11H,1-4,9H2,(H2,14,15)