N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-homoveratryl-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)OC

InChI

InChI=1S/C24H29N3O4S/c1-30-20-12-11-17(16-21(20)31-2)13-14-25-22(28)10-4-3-7-15-27-23(29)18-8-5-6-9-19(18)26-24(27)32/h5-6,8-9,11-12,16H,3-4,7,10,13-15H2,1-2H3,(H,25,28)(H,26,32)