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

Systemtic Name: (2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: (2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C25H26N6OS MolecularWeight: 458.57854

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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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H26N6OS/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/h2-12,18H,13-17H2,1H3,(H,28,32)/t18-/m0/s1