N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide; ethanedioic acid

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide; ethanedioic acid Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide; oxalic acid CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide; oxalic acid Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[4-(2-pyrimidyl)piperazino]propionamide; oxalic acid Formula: C27H28N6O5S MolecularWeight: 548.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)N4CCN(CC4)C5=NC=CC=N5.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)N4CCN(CC4)C5=NC=CC=N5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N6OS.C2H2O4/c1-18(30-13-15-31(16-14-30)25-26-11-4-12-27-25)24(32)28-20-9-7-19(8-10-20)17-23-29-21-5-2-3-6-22(21)33-23;3-1(4)2(5)6/h2-12,18H,13-17H2,1H3,(H,28,32);(H,3,4)(H,5,6)