1,1-bis(oxidanylidene)-2-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one hydrochloride

Systemtic Name: 1,1-bis(oxidanylidene)-2-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one hydrochloride Openeye Name: 1,1-dioxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one hydrochloride CAS Name: 1,1-dioxo-2-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-1,2-benzothiazol-3-one hydrochloride IUPAC Name: 1,1-dioxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one hydrochloride Traditional Name: 1,1-diketo-2-[3-keto-3-(4-phenylpiperazino)propyl]-1,2-benzothiazol-3-one hydrochloride Formula: C20H22ClN3O4S MolecularWeight: 435.92438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O.Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O.Cl

InChI

InChI=1S/C20H21N3O4S.ClH/c24-19(22-14-12-21(13-15-22)16-6-2-1-3-7-16)10-11-23-20(25)17-8-4-5-9-18(17)28(23,26)27;/h1-9H,10-15H2;1H