N-(4-dimethylaminophenyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(4-dimethylaminophenyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(4-dimethylaminophenyl)-4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(4-dimethylaminophenyl)-4-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-dimethylaminophenyl)-4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(4-dimethylaminophenyl)-4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]thiazol-2-yl]piperidine-1-carbothioamide Formula: C26H32N8OS2 MolecularWeight: 536.71528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H32N8OS2/c1-31(2)21-6-4-20(5-7-21)29-26(36)34-12-8-19(9-13-34)23-30-22(18-37-23)24(35)32-14-16-33(17-15-32)25-27-10-3-11-28-25/h3-7,10-11,18-19H,8-9,12-17H2,1-2H3,(H,29,36)