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

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-(thiazol-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-(2-thiazolylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-(thiazol-2-ylmethyl)piperazine-1-carbothioamide Formula: C25H33N7O2S2 MolecularWeight: 527.70522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CS4)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CS4)OCCN5CCCCC5

InChI

InChI=1S/C25H33N7O2S2/c1-33-21-15-19-20(16-22(21)34-13-12-30-6-3-2-4-7-30)28-18-29-24(19)31-8-10-32(11-9-31)25(35)27-17-23-26-5-14-36-23/h5,14-16,18H,2-4,6-13,17H2,1H3,(H,27,35)