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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-methoxy-7-[2-(1-pyrrolidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-pyrrolidinoethoxy)quinazolin-4-yl]-N-piperonyl-piperazine-1-carbothioamide Formula: C28H34N6O4S MolecularWeight: 550.67236

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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)OCCN6CCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5)OCCN6CCCC6

InChI

InChI=1S/C28H34N6O4S/c1-35-24-15-21-22(16-26(24)36-13-12-32-6-2-3-7-32)30-18-31-27(21)33-8-10-34(11-9-33)28(39)29-17-20-4-5-23-25(14-20)38-19-37-23/h4-5,14-16,18H,2-3,6-13,17,19H2,1H3,(H,29,39)