N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-methyl-benzenecarbothioamide

Systemtic Name: N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-methyl-benzenecarbothioamide Openeye Name: N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-methyl-benzenecarbothioamide CAS Name: N-[3-[6,7-dimethoxy-2-(methylamino)-4-quinazolinyl]phenyl]-4-methylbenzenecarbothioamide IUPAC Name: N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-methylbenzenecarbothioamide Traditional Name: N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-methyl-thiobenzamide Formula: C25H24N4O2S MolecularWeight: 444.54866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)NC2=CC=CC(=C2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)NC

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)NC2=CC=CC(=C2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)NC

InChI

InChI=1S/C25H24N4O2S/c1-15-8-10-16(11-9-15)24(32)27-18-7-5-6-17(12-18)23-19-13-21(30-3)22(31-4)14-20(19)28-25(26-2)29-23/h5-14H,1-4H3,(H,27,32)(H,26,28,29)