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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Traditional Name: N-homoveratryl-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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)CNC3=NC(=S)NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43)OC

InChI

InChI=1S/C26H26N4O3S/c1-32-22-12-9-17(15-23(22)33-2)13-14-27-25(31)19-10-7-18(8-11-19)16-28-24-20-5-3-4-6-21(20)29-26(34)30-24/h3-12,15H,13-14,16H2,1-2H3,(H,27,31)(H2,28,29,30,34)