2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]-1-(4-phenylpiperazino)ethanone Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H22N4O3S/c1-22(20-17-9-5-6-10-18(17)28(26,27)21-20)15-19(25)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3