N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-ethyl-4-quinazolinyl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylquinazolin-4-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(2-ethylquinazolin-4-yl)thio]-N-(4-fluorophenyl)-N-veratryl-acetamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(CC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(CC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H26FN3O3S/c1-4-25-29-22-8-6-5-7-21(22)27(30-25)35-17-26(32)31(20-12-10-19(28)11-13-20)16-18-9-14-23(33-2)24(15-18)34-3/h5-15H,4,16-17H2,1-3H3