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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-homoveratryl-acetamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H27N3O4S/c1-33-23-13-12-19(16-24(23)34-2)14-15-28-25(31)18-35-27-29-22-11-7-6-10-21(22)26(32)30(27)17-20-8-4-3-5-9-20/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,31)