(4-nitrophenyl)methyl N,N'-diethylcarbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N,N'-diethylcarbamimidothioate Openeye Name: 1,3-diethyl-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N,N'-diethylcarbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N,N'-diethylcarbamimidothioate Traditional Name: 1,3-diethyl-2-(4-nitrobenzyl)isothiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c1-3-13-12(14-4-2)18-9-10-5-7-11(8-6-10)15(16)17/h5-8H,3-4,9H2,1-2H3,(H,13,14)