S-(methylamino) N-(4-methyl-1-adamantyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate

Systemtic Name: S-(methylamino) N-(4-methyl-1-adamantyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate Openeye Name: S-(methylamino) N-(4-methyl-1-adamantyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropanecarbonyl]carbamothioate CAS Name: N-(4-methyl-1-adamantyl)-N-[oxo-[1-phenyl-2-(sulfonylamino)cyclopropyl]methyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methyl-1-adamantyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropanecarbonyl]carbamothioate Traditional Name: N-(4-methyl-1-adamantyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropanecarbonyl]thiocarbamic acid S-(methylamino) ester Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC3CC1CC(C3)(C2)N(C(=O)C4(CC4N=S(=O)=O)C5=CC=CC=C5)C(=O)SNC

Isomeric SMILES

CC1C2CC3CC1CC(C3)(C2)N(C(=O)C4(CC4N=S(=O)=O)C5=CC=CC=C5)C(=O)SNC

InChI

InChI=1S/C23H29N3O4S2/c1-14-16-8-15-9-17(14)12-22(10-15,11-16)26(21(28)31-24-2)20(27)23(13-19(23)25-32(29)30)18-6-4-3-5-7-18/h3-7,14-17,19,24H,8-13H2,1-2H3