(4-nitrophenyl)methyl N'-prop-2-enylcarbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-(4-nitrobenzyl)isothiourea Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2S/c1-2-7-13-11(12)17-8-9-3-5-10(6-4-9)14(15)16/h2-6H,1,7-8H2,(H2,12,13)