N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethylphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(4-ethylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-2-14-5-7-16(8-6-14)21(29)27-13-3-4-18(27)19(28)24-22-26-25-20(30-22)15-9-11-17(23)12-10-15/h5-12,18H,2-4,13H2,1H3,(H,24,26,28)