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

Systemtic Name: S-(methylamino) N-(4-methoxyoctyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate Openeye Name: S-(methylamino) N-(4-methoxyoctyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]carbamothioate CAS Name: N-(4-methoxyoctyl)-N-[oxo-[2-phenyl-3-(sulfonylamino)cyclopropyl]methyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methoxyoctyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]carbamothioate Traditional Name: N-(4-methoxyoctyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]thiocarbamic acid S-(methylamino) ester Formula: C21H31N3O5S2 MolecularWeight: 469.61794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCN(C(=O)C1C(C1N=S(=O)=O)C2=CC=CC=C2)C(=O)SNC)OC

Isomeric SMILES

CCCCC(CCCN(C(=O)C1C(C1N=S(=O)=O)C2=CC=CC=C2)C(=O)SNC)OC

InChI

InChI=1S/C21H31N3O5S2/c1-4-5-12-16(29-3)13-9-14-24(21(26)30-22-2)20(25)18-17(19(18)23-31(27)28)15-10-7-6-8-11-15/h6-8,10-11,16-19,22H,4-5,9,12-14H2,1-3H3