2-[4,5-bis(chloranyl)-2-isothiocyanato-phenyl]-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)ethanamide

Systemtic Name: 2-[4,5-bis(chloranyl)-2-isothiocyanato-phenyl]-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)ethanamide Openeye Name: 2-(4,5-dichloro-2-isothiocyanato-phenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide CAS Name: 2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]acetamide IUPAC Name: 2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide Traditional Name: 2-(4,5-dichloro-2-isothiocyanato-phenyl)-N-methyl-N-(2-pyrrolidinocyclohexyl)acetamide Formula: C20H25Cl2N3OS MolecularWeight: 426.403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3N=C=S)Cl)Cl

Isomeric SMILES

CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3N=C=S)Cl)Cl

InChI

InChI=1S/C20H25Cl2N3OS/c1-24(18-6-2-3-7-19(18)25-8-4-5-9-25)20(26)11-14-10-15(21)16(22)12-17(14)23-13-27/h10,12,18-19H,2-9,11H2,1H3