S-[(1-methyl-2-adamantyl)] N-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]-N-(methylamino)carbamothioate

Systemtic Name: S-[(1-methyl-2-adamantyl)] N-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]-N-(methylamino)carbamothioate Openeye Name: S-[(1-methyl-2-adamantyl)] N-[2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl]-N-(methylamino)carbamothioate CAS Name: N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(methylamino)carbamothioic acid S-[(1-methyl-2-adamantyl)] ester IUPAC Name: S-[(1-methyl-2-adamantyl)] N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(methylamino)carbamothioate Traditional Name: N-[2-(cyclohexylamino)-2-keto-1-phenyl-ethyl]-N-(methylamino)thiocarbamic acid S-[(1-methyl-2-adamantyl)] ester Formula: C27H39N3O2S MolecularWeight: 469.68246

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)C2SC(=O)N(C(C4=CC=CC=C4)C(=O)NC5CCCCC5)NC

Isomeric SMILES

CC12CC3CC(C1)CC(C3)C2SC(=O)N(C(C4=CC=CC=C4)C(=O)NC5CCCCC5)NC

InChI

InChI=1S/C27H39N3O2S/c1-27-16-18-13-19(17-27)15-21(14-18)24(27)33-26(32)30(28-2)23(20-9-5-3-6-10-20)25(31)29-22-11-7-4-8-12-22/h3,5-6,9-10,18-19,21-24,28H,4,7-8,11-17H2,1-2H3,(H,29,31)