S-(methylamino) N-(4-methoxyhexyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate

Systemtic Name: S-(methylamino) N-(4-methoxyhexyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Openeye Name: S-(methylamino) N-(4-methoxyhexyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-(4-methoxyhexyl)-N-[1-oxo-2-phenyl-3-(sulfonylamino)propyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methoxyhexyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Traditional Name: N-(4-methoxyhexyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C18H27N3O5S2 MolecularWeight: 429.55408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN(C(=O)C(CN=S(=O)=O)C1=CC=CC=C1)C(=O)SNC)OC

Isomeric SMILES

CCC(CCCN(C(=O)C(CN=S(=O)=O)C1=CC=CC=C1)C(=O)SNC)OC

InChI

InChI=1S/C18H27N3O5S2/c1-4-15(26-3)11-8-12-21(18(23)27-19-2)17(22)16(13-20-28(24)25)14-9-6-5-7-10-14/h5-7,9-10,15-16,19H,4,8,11-13H2,1-3H3