N-[5-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: N-[5-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-1,3-benzothiazol-2-yl]benzamide Openeye Name: N-[5-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-1,3-benzothiazol-2-yl]benzamide CAS Name: N-[5-[[4-(4-methyl-1-piperazinyl)-2-pyrimidinyl]amino]-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-[5-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]-1,3-benzothiazol-2-yl]benzamide Traditional Name: N-[5-[[4-(4-methylpiperazino)pyrimidin-2-yl]amino]-1,3-benzothiazol-2-yl]benzamide Formula: C23H23N7OS MolecularWeight: 445.54002

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC=C2)NC3=CC4=C(C=C3)SC(=N4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC=C2)NC3=CC4=C(C=C3)SC(=N4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H23N7OS/c1-29-11-13-30(14-12-29)20-9-10-24-22(27-20)25-17-7-8-19-18(15-17)26-23(32-19)28-21(31)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,24,25,27)(H,26,28,31)