2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-3-19(4-2)28-25(31)18-34-27-29-24-13-9-8-12-23(24)26(32)30(27)20-14-16-22(17-15-20)33-21-10-6-5-7-11-21/h5-17,19H,3-4,18H2,1-2H3,(H,28,31)