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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

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