N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H21N3O4S/c25-19(22-12-14-13-27-17-8-3-4-9-18(17)28-14)10-5-11-24-20(26)15-6-1-2-7-16(15)23-21(24)29/h1-4,6-9,14H,5,10-13H2,(H,22,25)(H,23,29)