1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(phenylthio)butan-1-one Formula: C21H22N2OS2 MolecularWeight: 382.54218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)C(=O)CCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS2/c24-20(13-7-15-25-16-8-2-1-3-9-16)23-14-6-11-18(23)21-22-17-10-4-5-12-19(17)26-21/h1-5,8-10,12,18H,6-7,11,13-15H2