(4-nitrophenyl)methyl N'-[(E)-(phenylmethylidene)amino]carbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-[(E)-(phenylmethylidene)amino]carbamimidothioate Openeye Name: 3-[(E)-benzylideneamino]-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-[(E)-(phenylmethylene)amino]carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-[(E)-benzylideneamino]carbamimidothioate Traditional Name: 3-[(E)-benzalamino]-2-(4-nitrobenzyl)isothiourea Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O2S/c16-15(18-17-10-12-4-2-1-3-5-12)22-11-13-6-8-14(9-7-13)19(20)21/h1-10H,11H2,(H2,16,18)/b17-10+