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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H33N3O4S/c1-17-9-5-7-11-21(17)28-25(31)18(2)35-27-29-22-12-8-6-10-20(22)26(32)30(27)16-19-13-14-23(33-3)24(15-19)34-4/h6,8,10,12-15,17-18,21H,5,7,9,11,16H2,1-4H3,(H,28,31)