5-oxidanylidene-1-(phenylmethyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide

Systemtic Name: 5-oxidanylidene-1-(phenylmethyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Openeye Name: 1-benzyl-5-oxo-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide CAS Name: 5-oxo-1-(phenylmethyl)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-benzyl-5-oxo-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Traditional Name: 1-benzyl-5-keto-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Formula: C25H23N3O2S3 MolecularWeight: 493.66402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2S3/c29-23-9-8-21(28(23)15-17-4-2-1-3-5-17)24(30)26-19-6-7-20-22(14-19)33-25(27-20)32-13-11-18-10-12-31-16-18/h1-7,10,12,14,16,21H,8-9,11,13,15H2,(H,26,30)