6,7-diethoxy-3-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-diethoxy-3-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-[4-(4-methylpiperazine-1-carbonyl)benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H30N4O4S MolecularWeight: 482.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C25H30N4O4S/c1-4-32-21-14-19-20(15-22(21)33-5-2)26-25(34)29(24(19)31)16-17-6-8-18(9-7-17)23(30)28-12-10-27(3)11-13-28/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,26,34)