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

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)carbonyl-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(4-chloro-3-nitro-benzoyl)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: 1-[(4-chloro-3-nitrophenyl)-oxomethyl]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-chloro-3-nitrobenzoyl)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(4-chloro-3-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=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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