2-[(4-nitrophenyl)amino]ethyl carbamimidothioate

Systemtic Name: 2-[(4-nitrophenyl)amino]ethyl carbamimidothioate Openeye Name: 2-[2-(4-nitroanilino)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(4-nitroanilino)ethyl ester IUPAC Name: 2-(4-nitroanilino)ethyl carbamimidothioate Traditional Name: 2-[2-(4-nitroanilino)ethyl]isothiourea Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCSC(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCSC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O2S/c10-9(11)16-6-5-12-7-1-3-8(4-2-7)13(14)15/h1-4,12H,5-6H2,(H3,10,11)