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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-oxidanylidene-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)-5-oxo-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-5-oxo-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)-5-oxo-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)-5-keto-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S2/c1-14-8-9-18(10-15(14)2)27-12-17(11-20(27)29)21(30)24-22-25-26-23(32-22)31-13-19(28)16-6-4-3-5-7-16/h3-10,17H,11-13H2,1-2H3,(H,24,25,30)