1-(3,5-dimethylphenyl)-5-oxidanylidene-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(3,5-dimethylphenyl)-5-oxidanylidene-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Openeye Name: 1-(3,5-dimethylphenyl)-5-oxo-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide CAS Name: 1-(3,5-dimethylphenyl)-5-oxo-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(3,5-dimethylphenyl)-5-oxo-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Traditional Name: 1-(3,5-dimethylphenyl)-5-keto-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)CSC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O2S2/c1-14-8-15(2)10-17(9-14)26-12-16(11-20(26)27)21(28)23-22-25-24-19(30-22)13-29-18-6-4-3-5-7-18/h3-10,16H,11-13H2,1-2H3,(H,23,25,28)