N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-2-phenylacetamide IUPAC Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-2-phenylacetamide Traditional Name: N-[2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-2-phenyl-acetamide Formula: C28H28N4O5S MolecularWeight: 532.61072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CC4=CC=CC=C4)OC

InChI

InChI=1S/C28H28N4O5S/c1-36-23-13-12-20(16-24(23)37-2)14-15-29-26(34)18-38-28-30-22-11-7-6-10-21(22)27(35)32(28)31-25(33)17-19-8-4-3-5-9-19/h3-13,16H,14-15,17-18H2,1-2H3,(H,29,34)(H,31,33)