N-(1,3-benzodioxol-5-yl)-2-[4-(butylamino)quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(butylamino)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(butylamino)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(butylamino)-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(butylamino)quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(butylamino)quinazolin-2-yl]thio]butyramide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SC(CC)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SC(CC)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N4O3S/c1-3-5-12-24-21-16-8-6-7-9-17(16)26-23(27-21)31-20(4-2)22(28)25-15-10-11-18-19(13-15)30-14-29-18/h6-11,13,20H,3-5,12,14H2,1-2H3,(H,25,28)(H,24,26,27)