1-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-3,3-diphenyl-propan-1-one

Systemtic Name: 1-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-3,3-diphenyl-propan-1-one Openeye Name: 1-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-3,3-diphenyl-propan-1-one CAS Name: 1-[4-[2-(1,3-benzothiazol-2-ylthio)ethyl]-1-piperazinyl]-3,3-diphenyl-1-propanone IUPAC Name: 1-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one Traditional Name: 1-[4-[2-(1,3-benzothiazol-2-ylthio)ethyl]piperazino]-3,3-diphenyl-propan-1-one Formula: C28H29N3OS2 MolecularWeight: 487.67936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=NC3=CC=CC=C3S2)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCSC2=NC3=CC=CC=C3S2)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3OS2/c32-27(21-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23)31-17-15-30(16-18-31)19-20-33-28-29-25-13-7-8-14-26(25)34-28/h1-14,24H,15-21H2