S-cyclohexyl N-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]-N-(methylamino)carbamothioate

Systemtic Name: S-cyclohexyl N-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]-N-(methylamino)carbamothioate Openeye Name: S-cyclohexyl N-[2-(N-cyclohexylanilino)-2-oxo-ethyl]-N-(methylamino)carbamothioate CAS Name: N-[2-(N-cyclohexylanilino)-2-oxoethyl]-N-(methylamino)carbamothioic acid S-cyclohexyl ester IUPAC Name: S-cyclohexyl N-[2-(N-cyclohexylanilino)-2-oxoethyl]-N-(methylamino)carbamothioate Traditional Name: N-[2-(N-cyclohexylanilino)-2-keto-ethyl]-N-(methylamino)thiocarbamic acid S-cyclohexyl ester Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CNN(CC(=O)N(C1CCCCC1)C2=CC=CC=C2)C(=O)SC3CCCCC3

Isomeric SMILES

CNN(CC(=O)N(C1CCCCC1)C2=CC=CC=C2)C(=O)SC3CCCCC3

InChI

InChI=1S/C22H33N3O2S/c1-23-24(22(27)28-20-15-9-4-10-16-20)17-21(26)25(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2,5-6,11-12,19-20,23H,3-4,7-10,13-17H2,1H3