1-(2-chloranyl-4-nitro-phenyl)carbonyl-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)carbonyl-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-chloro-4-nitro-benzoyl)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenyl)-oxomethyl]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-chloro-4-nitrobenzoyl)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-chloro-4-nitro-benzoyl)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C22H21ClN6O4S MolecularWeight: 500.95794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN6O4S/c1-27(2)14-7-5-13(6-8-14)20-25-26-22(34-20)24-19(30)18-4-3-11-28(18)21(31)16-10-9-15(29(32)33)12-17(16)23/h5-10,12,18H,3-4,11H2,1-2H3,(H,24,26,30)