S-(methylamino) N-(4-methoxy-1-adamantyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate

Systemtic Name: S-(methylamino) N-(4-methoxy-1-adamantyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Openeye Name: S-(methylamino) N-(4-methoxy-1-adamantyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-(4-methoxy-1-adamantyl)-N-[1-oxo-2-phenyl-3-(sulfonylamino)propyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methoxy-1-adamantyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Traditional Name: N-(4-methoxy-1-adamantyl)-N-[2-phenyl-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C22H29N3O5S2 MolecularWeight: 479.61276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNSC(=O)N(C(=O)C(CN=S(=O)=O)C1=CC=CC=C1)C23CC4CC(C2)C(C(C4)C3)OC

Isomeric SMILES

CNSC(=O)N(C(=O)C(CN=S(=O)=O)C1=CC=CC=C1)C23CC4CC(C2)C(C(C4)C3)OC

InChI

InChI=1S/C22H29N3O5S2/c1-23-31-21(27)25(20(26)18(13-24-32(28)29)15-6-4-3-5-7-15)22-10-14-8-16(11-22)19(30-2)17(9-14)12-22/h3-7,14,16-19,23H,8-13H2,1-2H3