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

Systemtic Name: N-cyclohexyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-cyclohexyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-cyclohexyl-2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-cyclohexyl-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-cyclohexyl-2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]propionamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H31N3O4S/c1-17(24(30)27-19-9-5-4-6-10-19)34-26-28-21-12-8-7-11-20(21)25(31)29(26)16-18-13-14-22(32-2)23(15-18)33-3/h7-8,11-15,17,19H,4-6,9-10,16H2,1-3H3,(H,27,30)