N-(1,3-benzodioxol-5-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(1,3-benzodioxol-5-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H21N3O4S/c25-19(22-14-9-10-17-18(12-14)28-13-27-17)8-2-1-5-11-24-20(26)15-6-3-4-7-16(15)23-21(24)29/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,22,25)(H,23,29)