4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentyl-benzamide

Systemtic Name: 4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentyl-benzamide Openeye Name: 4-[(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-pentyl-benzamide CAS Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentylbenzamide IUPAC Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentylbenzamide Traditional Name: N-amyl-4-[(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC(=C(C=C3NC2=S)OCC)OCC

Isomeric SMILES

CCCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC(=C(C=C3NC2=S)OCC)OCC

InChI

InChI=1S/C25H31N3O4S/c1-4-7-8-13-26-23(29)18-11-9-17(10-12-18)16-28-24(30)19-14-21(31-5-2)22(32-6-3)15-20(19)27-25(28)33/h9-12,14-15H,4-8,13,16H2,1-3H3,(H,26,29)(H,27,33)