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

Systemtic Name: S-(methylamino) N-(4-methoxyoctyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Openeye Name: S-(methylamino) N-(4-methoxyoctyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-(4-methoxyoctyl)-N-[1-oxo-2-phenyl-3-(sulfonylamino)propyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methoxyoctyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Traditional Name: N-(4-methoxyoctyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S2/c1-4-5-12-17(28-3)13-9-14-23(20(25)29-21-2)19(24)18(15-22-30(26)27)16-10-7-6-8-11-16/h6-8,10-11,17-18,21H,4-5,9,12-15H2,1-3H3