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

Systemtic Name: 4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide CAS Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Traditional Name: N-benzyl-4-[(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4)OCC

InChI

InChI=1S/C27H27N3O4S/c1-3-33-23-14-21-22(15-24(23)34-4-2)29-27(35)30(26(21)32)17-19-10-12-20(13-11-19)25(31)28-16-18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3,(H,28,31)(H,29,35)