1-[4-[1-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidin-1-yl]-5-thiophen-2-yl-pentane-1,5-dione

Systemtic Name: 1-[4-[1-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidin-1-yl]-5-thiophen-2-yl-pentane-1,5-dione Openeye Name: 1-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]-1-piperidyl]-5-(2-thienyl)pentane-1,5-dione CAS Name: 1-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-2-imidazolyl]-1-piperidinyl]-5-thiophen-2-ylpentane-1,5-dione IUPAC Name: 1-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidin-1-yl]-5-thiophen-2-ylpentane-1,5-dione Traditional Name: 1-[4-[1-[(2-keto-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidino]-5-(2-thienyl)pentane-1,5-dione Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4SC3=O)C(=O)CCCC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4SC3=O)C(=O)CCCC(=O)C5=CC=CS5

InChI

InChI=1S/C25H26N4O3S2/c30-20(22-8-4-16-33-22)6-3-9-23(31)27-13-10-18(11-14-27)24-26-12-15-28(24)17-29-19-5-1-2-7-21(19)34-25(29)32/h1-2,4-5,7-8,12,15-16,18H,3,6,9-11,13-14,17H2