N-(1,3-benzodioxol-5-ylmethyl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-piperonyl-piperazine-1-carbothioamide Formula: C29H36N6O4S MolecularWeight: 564.69894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5)OCCN6CCCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5)OCCN6CCCCC6

InChI

InChI=1S/C29H36N6O4S/c1-36-25-16-22-23(17-27(25)37-14-13-33-7-3-2-4-8-33)31-19-32-28(22)34-9-11-35(12-10-34)29(40)30-18-21-5-6-24-26(15-21)39-20-38-24/h5-6,15-17,19H,2-4,7-14,18,20H2,1H3,(H,30,40)