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

Systemtic Name: S-(methylamino) N-heptyl-N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]carbamothioate Openeye Name: S-(methylamino) N-heptyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-heptyl-N-[2-(4-methylphenyl)-1-oxo-3-(sulfonylamino)propyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-heptyl-N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]carbamothioate Traditional Name: N-heptyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C19H29N3O4S2 MolecularWeight: 427.58126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S2/c1-4-5-6-7-8-13-22(19(24)27-20-3)18(23)17(14-21-28(25)26)16-11-9-15(2)10-12-16/h9-12,17,20H,4-8,13-14H2,1-3H3