(4-nitrophenyl)methyl N-carbamimidoyl-N-(2-sulfanylethyl)carbamate

Systemtic Name: (4-nitrophenyl)methyl N-carbamimidoyl-N-(2-sulfanylethyl)carbamate Openeye Name: (4-nitrophenyl)methyl N-carbamimidoyl-N-(2-sulfanylethyl)carbamate CAS Name: N-carbamimidoyl-N-(2-mercaptoethyl)carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-carbamimidoyl-N-(2-sulfanylethyl)carbamate Traditional Name: N-amidino-N-(2-mercaptoethyl)carbamic acid (4-nitrobenzyl) ester Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)N(CCS)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)N(CCS)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O4S/c12-10(13)14(5-6-20)11(16)19-7-8-1-3-9(4-2-8)15(17)18/h1-4,20H,5-7H2,(H3,12,13)