S-methyl N-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]carbamothioate

Systemtic Name: S-methyl N-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]carbamothioate Openeye Name: S-methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl]carbamothioate CAS Name: N-[4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamothioate Traditional Name: N-[4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl]thiocarbamic acid S-methyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)NC(=O)SC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)NC(=O)SC)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-28-20-11-7-6-10-19(20)21(26)24-16-23(17-8-4-3-5-9-17)14-12-18(13-15-23)25-22(27)29-2/h3-11,18H,12-16H2,1-2H3,(H,24,26)(H,25,27)