1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one Openeye Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one CAS Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-(1,3-benzothiazol-2-ylthio)-1-propanone IUPAC Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one Traditional Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-(1,3-benzothiazol-2-ylthio)propan-1-one Formula: C21H19N3OS3 MolecularWeight: 425.59006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCSC2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCSC2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3OS3/c25-19(11-13-26-21-23-15-7-2-4-10-18(15)28-21)24-12-5-8-16(24)20-22-14-6-1-3-9-17(14)27-20/h1-4,6-7,9-10,16H,5,8,11-13H2/t16-/m0/s1