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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetamide CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]acetamide Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3OS2/c1-2-14-27-19-11-5-3-8-16(19)23-21(26)15-25-13-7-10-18(25)22-24-17-9-4-6-12-20(17)28-22/h2-6,8-9,11-12,18H,1,7,10,13-15H2,(H,23,26)