1-(2-azanyl-2-cyclohexyl-ethanoyl)-N-[[5-chloranyl-2-(1,2,5-thiadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-2-cyclohexyl-ethanoyl)-N-[[5-chloranyl-2-(1,2,5-thiadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-2-cyclohexyl-acetyl)-N-[[5-chloro-2-(1,2,5-thiadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-2-cyclohexyl-1-oxoethyl)-N-[[5-chloro-2-(1,2,5-thiadiazol-3-yl)phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-2-cyclohexylacetyl)-N-[[5-chloro-2-(1,2,5-thiadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-amino-2-cyclohexyl-acetyl)-N-[5-chloro-2-(1,2,5-thiadiazol-3-yl)benzyl]pyrrolidine-2-carboxamide Formula: C22H28ClN5O2S MolecularWeight: 462.00802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)C4=NSN=C4)N

Isomeric SMILES

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)C4=NSN=C4)N

InChI

InChI=1S/C22H28ClN5O2S/c23-16-8-9-17(18-13-26-31-27-18)15(11-16)12-25-21(29)19-7-4-10-28(19)22(30)20(24)14-5-2-1-3-6-14/h8-9,11,13-14,19-20H,1-7,10,12,24H2,(H,25,29)