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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H22N4O3S/c25-19(24-14-12-23(13-15-24)16-6-2-1-3-7-16)10-11-21-20-17-8-4-5-9-18(17)28(26,27)22-20/h1-9H,10-15H2,(H,21,22)