S-[4-methyl-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-phenylethanethioate

Systemtic Name: S-[4-methyl-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-phenylethanethioate Openeye Name: S-[4-methyl-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[4-methyl-2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4-methyl-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[4-methyl-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC(=O)CC2=CC=CC=C2)NC(=O)C3(CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC(=O)CC2=CC=CC=C2)NC(=O)C3(CCCCC3)C

InChI

InChI=1S/C23H27NO2S/c1-17-11-12-20(27-21(25)16-18-9-5-3-6-10-18)19(15-17)24-22(26)23(2)13-7-4-8-14-23/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,24,26)