ethyl 4-[2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-ethyl-2-(m-tolyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-ethyl-2-(3-methylphenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-ethyl-2-(m-tolyl)quinazolin-4-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC)C4=CC(=CC=C4)C

InChI

InChI=1S/C28H27N3O3S/c1-4-19-9-14-24-23(16-19)27(31-26(30-24)21-8-6-7-18(3)15-21)35-17-25(32)29-22-12-10-20(11-13-22)28(33)34-5-2/h6-16H,4-5,17H2,1-3H3,(H,29,32)