N-(1,3-benzodioxol-5-yl)-2-(2-bromanylbenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2-bromanylbenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-bromo-6-benzimidazolo[1,2-c]quinazolinyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)thio]butyramide Formula: C25H19BrN4O3S MolecularWeight: 535.41236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N53

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N53

InChI

InChI=1S/C25H19BrN4O3S/c1-2-22(24(31)27-15-8-10-20-21(12-15)33-13-32-20)34-25-29-17-9-7-14(26)11-16(17)23-28-18-5-3-4-6-19(18)30(23)25/h3-12,22H,2,13H2,1H3,(H,27,31)