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

Systemtic Name: 1-(4-ethoxyphenyl)-5-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(4-ethoxyphenyl)-5-oxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-keto-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S2/c1-2-29-18-10-8-17(9-11-18)26-13-16(12-19(26)27)20(28)23-21-24-25-22(31-21)30-14-15-6-4-3-5-7-15/h3-11,16H,2,12-14H2,1H3,(H,23,24,28)