ethyl 4-[2-(2-bromanylbenzimidazolo[1,2-c]quinazolin-6-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2-bromanylbenzimidazolo[1,2-c]quinazolin-6-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-bromo-6-benzimidazolo[1,2-c]quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H19BrN4O3S MolecularWeight: 535.41236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N42

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N42

InChI

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