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

Systemtic Name: N-butyl-4-[(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide Openeye Name: N-butyl-4-[(8-oxo-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide CAS Name: N-butyl-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide IUPAC Name: N-butyl-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide Traditional Name: N-butyl-4-[(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-2-3-8-22-19(25)14-6-4-13(5-7-14)11-24-20(26)15-9-17-18(28-12-27-17)10-16(15)23-21(24)29/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,22,25)(H,23,29)