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

Systemtic Name: 1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]isonipecotamide Formula: C24H31N5O3S2 MolecularWeight: 501.66464

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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)CSC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=NN=C(S3)CSC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O3S2/c1-24(2,3)29-14-17(13-20(29)30)22(32)28-11-9-16(10-12-28)21(31)25-23-27-26-19(34-23)15-33-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3,(H,25,27,31)