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

Systemtic Name: 1-butyl-5-oxidanylidene-N-[4-[[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-butyl-5-oxo-N-[4-[[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]pyrrolidine-3-carboxamide CAS Name: 1-butyl-5-oxo-N-[4-[oxo-[[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-butyl-5-oxo-N-[4-[[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-butyl-5-keto-N-[4-[[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]pyrrolidine-3-carboxamide Formula: C25H27N5O3S2 MolecularWeight: 509.64358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)CSC4=CC=CC=C4

Isomeric SMILES

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)CSC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3S2/c1-2-3-13-30-15-18(14-22(30)31)24(33)26-19-11-9-17(10-12-19)23(32)27-25-29-28-21(35-25)16-34-20-7-5-4-6-8-20/h4-12,18H,2-3,13-16H2,1H3,(H,26,33)(H,27,29,32)