N-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-butyl-2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-butyl-2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-quinazolin-2-yl]thio]butyramide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC)SC1=NC2=CC=CC=C2C(=O)N1CC3COC4=CC=CC=C4O3

Isomeric SMILES

CCCCNC(=O)C(CC)SC1=NC2=CC=CC=C2C(=O)N1CC3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H29N3O4S/c1-3-5-14-26-23(29)22(4-2)33-25-27-19-11-7-6-10-18(19)24(30)28(25)15-17-16-31-20-12-8-9-13-21(20)32-17/h6-13,17,22H,3-5,14-16H2,1-2H3,(H,26,29)