4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(diphenylmethyl)piperazin-1-yl]butane-1,3-dione

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(diphenylmethyl)piperazin-1-yl]butane-1,3-dione Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,3-dione CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(diphenylmethyl)-1-piperazinyl]butane-1,3-dione IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,3-dione Traditional Name: 1-(4-benzhydrylpiperazino)-4-(1,3-benzothiazol-2-ylthio)butane-1,3-dione Formula: C28H27N3O2S2 MolecularWeight: 501.66288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H27N3O2S2/c32-23(20-34-28-29-24-13-7-8-14-25(24)35-28)19-26(33)30-15-17-31(18-16-30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27H,15-20H2