methyl N-(4-azidophenyl)sulfonyl-N'-phenethyl-carbamimidothioate

Systemtic Name: methyl N-(4-azidophenyl)sulfonyl-N'-phenethyl-carbamimidothioate Openeye Name: 1-(4-azidophenyl)sulfonyl-2-methyl-3-phenethyl-isothiourea CAS Name: N-(4-azidophenyl)sulfonyl-N'-phenethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-azidophenyl)sulfonyl-N'-phenethylcarbamimidothioate Traditional Name: 1-(4-azidophenyl)sulfonyl-2-methyl-3-phenethyl-isothiourea Formula: C16H17N5O2S2 MolecularWeight: 375.46848

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=[N+]=[N-]

Isomeric SMILES

CSC(=NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=[N+]=[N-]

InChI

InChI=1S/C16H17N5O2S2/c1-24-16(18-12-11-13-5-3-2-4-6-13)20-25(22,23)15-9-7-14(8-10-15)19-21-17/h2-10H,11-12H2,1H3,(H,18,20)