3-[6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxo-hexyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-(3-chlorophenyl)-1-piperazinyl]-6-oxohexyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[4-(3-chlorophenyl)piperazino]-6-keto-hexyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C28H34ClN5O3S MolecularWeight: 556.11926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

InChI

InChI=1S/C28H34ClN5O3S/c29-21-5-4-6-22(19-21)31-11-13-33(14-12-31)26(35)7-2-1-3-10-34-27(36)24-20-23(32-15-17-37-18-16-32)8-9-25(24)30-28(34)38/h4-6,8-9,19-20H,1-3,7,10-18H2,(H,30,38)