propan-2-yl N-[1,1,3-tris(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-5-yl]carbamate

Systemtic Name: propan-2-yl N-[1,1,3-tris(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-5-yl]carbamate Openeye Name: isopropyl N-[1,1,3-trioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-5-yl]carbamate CAS Name: N-[1,1,3-trioxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,2-benzothiazol-5-yl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[1,1,3-trioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-5-yl]carbamate Traditional Name: N-[1,1,3-triketo-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,2-benzothiazol-5-yl]carbamic acid isopropyl ester Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1=CC2=C(C=C1)S(=O)(=O)N(C2=O)CCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)OC(=O)NC1=CC2=C(C=C1)S(=O)(=O)N(C2=O)CCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H28N6O5S/c1-16(2)33-22(30)25-17-5-6-19-18(15-17)20(29)28(34(19,31)32)10-4-9-26-11-13-27(14-12-26)21-23-7-3-8-24-21/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,25,30)