S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-phenylethanethioate

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-phenylethanethioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25NO2S/c1-22(14-8-3-9-15-22)21(25)23-18-12-6-7-13-19(18)26-20(24)16-17-10-4-2-5-11-17/h2,4-7,10-13H,3,8-9,14-16H2,1H3,(H,23,25)