S-[4,5-bis(chloranyl)-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-azanyl-3-phenyl-propanethioate

Systemtic Name: S-[4,5-bis(chloranyl)-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-azanyl-3-phenyl-propanethioate Openeye Name: S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-amino-3-phenyl-propanethioate CAS Name: 2-amino-3-phenylpropanethioic acid S-[4,5-dichloro-2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-amino-3-phenylpropanethioate Traditional Name: 2-amino-3-phenyl-propanethioic acid S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C23H26Cl2N2O2S MolecularWeight: 465.43574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N2O2S/c1-23(10-6-3-7-11-23)22(29)27-19-13-16(24)17(25)14-20(19)30-21(28)18(26)12-15-8-4-2-5-9-15/h2,4-5,8-9,13-14,18H,3,6-7,10-12,26H2,1H3,(H,27,29)