4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carbothioamide

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-[6-(trifluoromethyl)-3-pyridyl]piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-[6-(trifluoromethyl)-3-pyridyl]piperazine-1-carbothioamide Formula: C27H32F3N7O2S MolecularWeight: 575.64889

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CN=C(C=C4)C(F)(F)F)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CN=C(C=C4)C(F)(F)F)OCCN5CCCCC5

InChI

InChI=1S/C27H32F3N7O2S/c1-38-22-15-20-21(16-23(22)39-14-13-35-7-3-2-4-8-35)32-18-33-25(20)36-9-11-37(12-10-36)26(40)34-19-5-6-24(31-17-19)27(28,29)30/h5-6,15-18H,2-4,7-14H2,1H3,(H,34,40)