4-[(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-phenethyl-benzamide

Systemtic Name: 4-[(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-phenethyl-benzamide Openeye Name: 4-[(8-oxo-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-phenethyl-benzamide CAS Name: 4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-phenethylbenzamide IUPAC Name: 4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-phenethylbenzamide Traditional Name: 4-[(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-phenethyl-benzamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4S/c29-23(26-11-10-16-4-2-1-3-5-16)18-8-6-17(7-9-18)14-28-24(30)19-12-21-22(32-15-31-21)13-20(19)27-25(28)33/h1-9,12-13H,10-11,14-15H2,(H,26,29)(H,27,33)