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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)N(C)C1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

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