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

Systemtic Name: S-[4,5-bis(chloranyl)-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-azanylbutanethioate Openeye Name: S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-aminobutanethioate CAS Name: 2-aminobutanethioic acid S-[4,5-dichloro-2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-aminobutanethioate Traditional Name: 2-aminobutanethioic acid S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C18H24Cl2N2O2S MolecularWeight: 403.36636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)SC1=CC(=C(C=C1NC(=O)C2(CCCCC2)C)Cl)Cl)N

Isomeric SMILES

CCC(C(=O)SC1=CC(=C(C=C1NC(=O)C2(CCCCC2)C)Cl)Cl)N

InChI

InChI=1S/C18H24Cl2N2O2S/c1-3-13(21)16(23)25-15-10-12(20)11(19)9-14(15)22-17(24)18(2)7-5-4-6-8-18/h9-10,13H,3-8,21H2,1-2H3,(H,22,24)