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

Systemtic Name: S-(methylamino) N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]-N-pentyl-carbamothioate Openeye Name: S-(methylamino) N-pentyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-[2-(4-methylphenyl)-1-oxo-3-(sulfonylamino)propyl]-N-pentylcarbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]-N-pentylcarbamothioate Traditional Name: N-amyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S2/c1-4-5-6-11-20(17(22)25-18-3)16(21)15(12-19-26(23)24)14-9-7-13(2)8-10-14/h7-10,15,18H,4-6,11-12H2,1-3H3