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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: N-homoveratryl-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzamide Formula: C25H23N3O4S MolecularWeight: 461.53282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S)OC

InChI

InChI=1S/C25H23N3O4S/c1-31-21-12-7-16(15-22(21)32-2)13-14-26-23(29)17-8-10-18(11-9-17)28-24(30)19-5-3-4-6-20(19)27-25(28)33/h3-12,15H,13-14H2,1-2H3,(H,26,29)(H,27,33)