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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-(4-phenylpiperazino)butan-1-one Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H24N4O3S/c26-20(25-15-13-24(14-16-25)17-7-2-1-3-8-17)11-6-12-22-21-18-9-4-5-10-19(18)29(27,28)23-21/h1-5,7-10H,6,11-16H2,(H,22,23)