2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-[2-(phenylthio)ethyl]acetamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)CC(=O)NCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c25-20(22-12-14-26-16-7-2-1-3-8-16)15-24-13-6-10-18(24)21-23-17-9-4-5-11-19(17)27-21/h1-5,7-9,11,18H,6,10,12-15H2,(H,22,25)