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

Systemtic Name: S-(methylamino) N-(4-methoxyheptyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Openeye Name: S-(methylamino) N-(4-methoxyheptyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-(4-methoxyheptyl)-N-[1-oxo-2-phenyl-3-(sulfonylamino)propyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methoxyheptyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Traditional Name: N-(4-methoxyheptyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S2/c1-4-9-16(27-3)12-8-13-22(19(24)28-20-2)18(23)17(14-21-29(25)26)15-10-6-5-7-11-15/h5-7,10-11,16-17,20H,4,8-9,12-14H2,1-3H3