2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]-N-isoamyl-acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N4O3S/c1-14(2)9-10-23-20(27)12-30-22-25-17-6-4-3-5-16(17)21(26-22)24-15-7-8-18-19(11-15)29-13-28-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,27)(H,24,25,26)