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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]butyramide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5CCCCC5

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5CCCCC5

InChI

InChI=1S/C25H28N4O3S/c1-2-22(24(30)27-17-12-13-20-21(14-17)32-15-31-20)33-25-28-19-11-7-6-10-18(19)23(29-25)26-16-8-4-3-5-9-16/h6-7,10-14,16,22H,2-5,8-9,15H2,1H3,(H,27,30)(H,26,28,29)