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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[7-methoxy-6-(2-methoxyethoxy)-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: 4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-N-piperonyl-piperazine-1-carbothioamide Formula: C25H29N5O5S MolecularWeight: 511.59326

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H29N5O5S/c1-31-9-10-33-23-12-18-19(13-21(23)32-2)27-15-28-24(18)29-5-7-30(8-6-29)25(36)26-14-17-3-4-20-22(11-17)35-16-34-20/h3-4,11-13,15H,5-10,14,16H2,1-2H3,(H,26,36)