N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Traditional Name: 4-[(4-keto-6-morpholino-2-thioxo-1H-quinazolin-3-yl)methyl]-N-piperonyl-benzamide Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H26N4O5S/c33-26(29-15-19-3-8-24-25(13-19)37-17-36-24)20-4-1-18(2-5-20)16-32-27(34)22-14-21(31-9-11-35-12-10-31)6-7-23(22)30-28(32)38/h1-8,13-14H,9-12,15-17H2,(H,29,33)(H,30,38)