7-methoxycarbonyl-3-[[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]methyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-3-[[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]methyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-methoxycarbonyl-3-[[4-(3-morpholinopropylcarbamoyl)phenyl]methyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-methoxycarbonyl-3-[[4-[[3-(4-morpholinyl)propylamino]-oxomethyl]phenyl]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-3-[[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]methyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-[4-(3-morpholinopropylcarbamoyl)benzyl]-2-thioxo-quinazolin-4-olate Formula: C25H27N4O5S- MolecularWeight: 495.57068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC=C(C=C3)C(=O)NCCCN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC=C(C=C3)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C25H28N4O5S/c1-33-24(32)19-7-8-20-21(15-19)27-25(35)29(23(20)31)16-17-3-5-18(6-4-17)22(30)26-9-2-10-28-11-13-34-14-12-28/h3-8,15,31H,2,9-14,16H2,1H3,(H,26,30)/p-1