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

Systemtic Name: N-cyclohexyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-ethanamide Openeye Name: N-cyclohexyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-acetamide CAS Name: N-cyclohexyl-2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-ethylacetamide IUPAC Name: N-cyclohexyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide Traditional Name: N-cyclohexyl-N-ethyl-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:

CCN(C1CCCCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCN(C1CCCCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

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