S-[5-chloranyl-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-phenylethanethioate

Systemtic Name: S-[5-chloranyl-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-phenylethanethioate Openeye Name: S-[5-chloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[5-chloro-2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[5-chloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[5-chloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C22H24ClNO2S MolecularWeight: 401.94946

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)NC2=C(C=C(C=C2)Cl)SC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1(CCCCC1)C(=O)NC2=C(C=C(C=C2)Cl)SC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24ClNO2S/c1-22(12-6-3-7-13-22)21(26)24-18-11-10-17(23)15-19(18)27-20(25)14-16-8-4-2-5-9-16/h2,4-5,8-11,15H,3,6-7,12-14H2,1H3,(H,24,26)