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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-phenethylpiperazin-1-yl)butan-1-one Openeye Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-phenethylpiperazin-1-yl)butan-1-one CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-phenethyl-1-piperazinyl)-1-butanone IUPAC Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-phenethylpiperazin-1-yl)butan-1-one Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-(4-phenethylpiperazino)butan-1-one Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=O)CCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=O)CCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H28N4O3S/c28-22(27-17-15-26(16-18-27)14-12-19-7-2-1-3-8-19)11-6-13-24-23-20-9-4-5-10-21(20)31(29,30)25-23/h1-5,7-10H,6,11-18H2,(H,24,25)