3-[[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]benzyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C32H35N5O3S MolecularWeight: 569.717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)N6CCOCC6)NC4=S

InChI

InChI=1S/C32H35N5O3S/c1-22-3-4-23(2)29(19-22)35-11-13-36(14-12-35)30(38)25-7-5-24(6-8-25)21-37-31(39)27-20-26(34-15-17-40-18-16-34)9-10-28(27)33-32(37)41/h3-10,19-20H,11-18,21H2,1-2H3,(H,33,41)