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

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

CC1C2CC3CC(C2)C(C1C3)N(C(=O)C4(CC4N=S(=O)=O)C5=CC=CC=C5)C(=O)SNC

Isomeric SMILES

CC1C2CC3CC(C2)C(C1C3)N(C(=O)C4(CC4N=S(=O)=O)C5=CC=CC=C5)C(=O)SNC

InChI

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