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

Systemtic Name: N-cyclooctyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclooctyl-2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]acetamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCCC4)OC

InChI

InChI=1S/C27H33N3O4S/c1-33-23-15-14-19(16-24(23)34-2)17-30-26(32)21-12-8-9-13-22(21)29-27(30)35-18-25(31)28-20-10-6-4-3-5-7-11-20/h8-9,12-16,20H,3-7,10-11,17-18H2,1-2H3,(H,28,31)