1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)piperidine-4-carboxamide CAS Name: 1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)isonipecotamide Formula: C25H33N5O3S2 MolecularWeight: 515.69122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=NN=C(S3)CSCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=NN=C(S3)CSCC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O3S2/c1-25(2,3)30-14-19(13-21(30)31)23(33)29-11-9-18(10-12-29)22(32)26-24-28-27-20(35-24)16-34-15-17-7-5-4-6-8-17/h4-8,18-19H,9-16H2,1-3H3,(H,26,28,32)