(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-1-phenyl-pyrrolidin-2-one

Systemtic Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-1-phenyl-pyrrolidin-2-one Openeye Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1-phenyl-pyrrolidin-2-one CAS Name: (3S)-3-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-1-phenyl-2-pyrrolidinone IUPAC Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one Traditional Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1-phenyl-2-pyrrolidone Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)[C@@H]1C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O2S/c27-20(17-10-11-26(21(17)28)16-6-2-1-3-7-16)24-12-14-25(15-13-24)22-23-18-8-4-5-9-19(18)29-22/h1-9,17H,10-15H2/t17-/m0/s1