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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNSC(=O)N(C1C2CC3CC(C2)C(C1C3)OC)C(=O)C(CN=S(=O)=O)C4=CC=CC=C4

Isomeric SMILES

CNSC(=O)N(C1C2CC3CC(C2)C(C1C3)OC)C(=O)C(CN=S(=O)=O)C4=CC=CC=C4

InChI

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