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

Systemtic Name: S-(methylamino) N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]-N-octyl-carbamothioate Openeye Name: S-(methylamino) N-octyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-[2-(4-methylphenyl)-1-oxo-3-(sulfonylamino)propyl]-N-octylcarbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]-N-octylcarbamothioate Traditional Name: N-octyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C20H31N3O4S2 MolecularWeight: 441.60784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S2/c1-4-5-6-7-8-9-14-23(20(25)28-21-3)19(24)18(15-22-29(26)27)17-12-10-16(2)11-13-17/h10-13,18,21H,4-9,14-15H2,1-3H3