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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H33N3O4S/c1-18-8-4-6-10-21(18)28-25(31)17-35-27-29-22-11-7-5-9-20(22)26(32)30(27)15-14-19-12-13-23(33-2)24(16-19)34-3/h5,7,9,11-13,16,18,21H,4,6,8,10,14-15,17H2,1-3H3,(H,28,31)