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

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-thiophen-3-yl-piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-(3-thienyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-(3-thiophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-thiophen-3-ylpiperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-(3-thienyl)piperazine-1-carbothioamide Formula: C25H32N6O2S2 MolecularWeight: 512.69058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O2S2/c1-32-22-15-20-21(16-23(22)33-13-12-29-6-3-2-4-7-29)26-18-27-24(20)30-8-10-31(11-9-30)25(34)28-19-5-14-35-17-19/h5,14-18H,2-4,6-13H2,1H3,(H,28,34)