(4-nitrophenyl)methyl N'-butylcarbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-butylcarbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-butylcarbamimidothioate Traditional Name: 3-butyl-2-(4-nitrobenzyl)isothiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCN=C(N)SCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O2S/c1-2-3-8-14-12(13)18-9-10-4-6-11(7-5-10)15(16)17/h4-7H,2-3,8-9H2,1H3,(H2,13,14)