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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylquinazolin-4-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylquinazolin-4-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-ethyl-4-quinazolinyl)thio]-N-phenylacetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylquinazolin-4-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(2-ethylquinazolin-4-yl)thio]-N-phenyl-N-veratryl-acetamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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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=CC=C4

Isomeric SMILES

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

InChI

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