methyl (1E)-N-[[hexyl(phenylcarbonyl)amino]sulfanyl-methyl-carbamoyl]oxyethanimidothioate

Systemtic Name: methyl (1E)-N-[[hexyl(phenylcarbonyl)amino]sulfanyl-methyl-carbamoyl]oxyethanimidothioate Openeye Name: methyl (1E)-N-[[benzoyl(hexyl)amino]sulfanyl-methyl-carbamoyl]oxyethanimidothioate CAS Name: (1E)-N-[[[[benzoyl(hexyl)amino]thio]-methylamino]-oxomethoxy]ethanimidothioic acid methyl ester IUPAC Name: methyl (1E)-N-[[benzoyl(hexyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate Traditional Name: (1E)-N-[[[benzoyl(hexyl)amino]thio]-methyl-carbamoyl]oxythioacetimidic acid methyl ester Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(=O)C1=CC=CC=C1)SN(C)C(=O)ON=C(C)SC

Isomeric SMILES

CCCCCCN(C(=O)C1=CC=CC=C1)SN(C)C(=O)O/N=C(\C)/SC

InChI

InChI=1S/C18H27N3O3S2/c1-5-6-7-11-14-21(17(22)16-12-9-8-10-13-16)26-20(3)18(23)24-19-15(2)25-4/h8-10,12-13H,5-7,11,14H2,1-4H3/b19-15+