4-[(E)-2-[2-[(4-piperidin-4-ylsulfonylphenyl)amino]pyrimidin-5-yl]ethenyl]-1,3-benzothiazol-2-amine

Systemtic Name: 4-[(E)-2-[2-[(4-piperidin-4-ylsulfonylphenyl)amino]pyrimidin-5-yl]ethenyl]-1,3-benzothiazol-2-amine Openeye Name: 4-[(E)-2-[2-[4-(4-piperidylsulfonyl)anilino]pyrimidin-5-yl]vinyl]-1,3-benzothiazol-2-amine CAS Name: 4-[(E)-2-[2-[4-(4-piperidinylsulfonyl)anilino]-5-pyrimidinyl]ethenyl]-1,3-benzothiazol-2-amine IUPAC Name: 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-benzothiazol-2-amine Traditional Name: [5-[(E)-2-(2-amino-1,3-benzothiazol-4-yl)vinyl]pyrimidin-2-yl]-[4-(4-piperidylsulfonyl)phenyl]amine Formula: C24H24N6O2S2 MolecularWeight: 492.61636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C=CC4=C5C(=CC=C4)SC(=N5)N

Isomeric SMILES

C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)/C=C/C4=C5C(=CC=C4)SC(=N5)N

InChI

InChI=1S/C24H24N6O2S2/c25-23-30-22-17(2-1-3-21(22)33-23)5-4-16-14-27-24(28-15-16)29-18-6-8-19(9-7-18)34(31,32)20-10-12-26-13-11-20/h1-9,14-15,20,26H,10-13H2,(H2,25,30)(H,27,28,29)/b5-4+