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

Systemtic Name: 3-[[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylphenyl]methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]methyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]benzyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C31H32ClN5O3S MolecularWeight: 590.13548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32ClN5O3S/c1-21-2-7-24(32)18-28(21)35-10-12-36(13-11-35)29(38)23-5-3-22(4-6-23)20-37-30(39)26-19-25(34-14-16-40-17-15-34)8-9-27(26)33-31(37)41/h2-9,18-19H,10-17,20H2,1H3,(H,33,41)