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

Systemtic Name: S-phenethyl N-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]-N-(methylamino)carbamothioate Openeye Name: S-phenethyl N-[2-(N-cyclohexylanilino)-2-oxo-ethyl]-N-(methylamino)carbamothioate CAS Name: N-[2-(N-cyclohexylanilino)-2-oxoethyl]-N-(methylamino)carbamothioic acid S-phenethyl ester IUPAC Name: S-phenethyl N-[2-(N-cyclohexylanilino)-2-oxoethyl]-N-(methylamino)carbamothioate Traditional Name: N-[2-(N-cyclohexylanilino)-2-keto-ethyl]-N-(methylamino)thiocarbamic acid S-phenethyl ester Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CNN(CC(=O)N(C1CCCCC1)C2=CC=CC=C2)C(=O)SCCC3=CC=CC=C3

Isomeric SMILES

CNN(CC(=O)N(C1CCCCC1)C2=CC=CC=C2)C(=O)SCCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-25-26(24(29)30-18-17-20-11-5-2-6-12-20)19-23(28)27(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-3,5-8,11-14,22,25H,4,9-10,15-19H2,1H3