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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C=CC4=CC5=C(C=C4)SC(=N5)N

Isomeric SMILES

C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)/C=C/C4=CC5=C(C=C4)SC(=N5)N

InChI

InChI=1S/C24H24N6O2S2/c25-23-30-21-13-16(3-8-22(21)33-23)1-2-17-14-27-24(28-15-17)29-18-4-6-19(7-5-18)34(31,32)20-9-11-26-12-10-20/h1-8,13-15,20,26H,9-12H2,(H2,25,30)(H,27,28,29)/b2-1+