phenyl N'-[(4-nitrophenyl)methyl]carbamimidothioate

Systemtic Name: phenyl N'-[(4-nitrophenyl)methyl]carbamimidothioate Openeye Name: 3-[(4-nitrophenyl)methyl]-2-phenyl-isothiourea CAS Name: N'-[(4-nitrophenyl)methyl]carbamimidothioic acid phenyl ester IUPAC Name: phenyl N'-[(4-nitrophenyl)methyl]carbamimidothioate Traditional Name: 3-(4-nitrobenzyl)-2-phenyl-isothiourea Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=NCC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)SC(=NCC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H13N3O2S/c15-14(20-13-4-2-1-3-5-13)16-10-11-6-8-12(9-7-11)17(18)19/h1-9H,10H2,(H2,15,16)