S-(methylamino) N-hexyl-N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]carbamothioate

Systemtic Name: S-(methylamino) N-hexyl-N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]carbamothioate Openeye Name: S-(methylamino) N-hexyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-hexyl-N-[2-(4-methylphenyl)-1-oxo-3-(sulfonylamino)propyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-hexyl-N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]carbamothioate Traditional Name: N-hexyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(=O)C(CN=S(=O)=O)C1=CC=C(C=C1)C)C(=O)SNC

Isomeric SMILES

CCCCCCN(C(=O)C(CN=S(=O)=O)C1=CC=C(C=C1)C)C(=O)SNC

InChI

InChI=1S/C18H27N3O4S2/c1-4-5-6-7-12-21(18(23)26-19-3)17(22)16(13-20-27(24)25)15-10-8-14(2)9-11-15/h8-11,16,19H,4-7,12-13H2,1-3H3