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

Systemtic Name: S-cyclopentyl N-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]-N-(methylamino)carbamothioate Openeye Name: S-cyclopentyl N-[2-(N-cyclohexylanilino)-2-oxo-ethyl]-N-(methylamino)carbamothioate CAS Name: N-[2-(N-cyclohexylanilino)-2-oxoethyl]-N-(methylamino)carbamothioic acid S-cyclopentyl ester IUPAC Name: S-cyclopentyl N-[2-(N-cyclohexylanilino)-2-oxoethyl]-N-(methylamino)carbamothioate Traditional Name: N-[2-(N-cyclohexylanilino)-2-keto-ethyl]-N-(methylamino)thiocarbamic acid S-cyclopentyl ester Formula: C21H31N3O2S MolecularWeight: 389.55474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNN(CC(=O)N(C1CCCCC1)C2=CC=CC=C2)C(=O)SC3CCCC3

Isomeric SMILES

CNN(CC(=O)N(C1CCCCC1)C2=CC=CC=C2)C(=O)SC3CCCC3

InChI

InChI=1S/C21H31N3O2S/c1-22-23(21(26)27-19-14-8-9-15-19)16-20(25)24(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2,4-5,10-11,18-19,22H,3,6-9,12-16H2,1H3