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

Systemtic Name: 6-morpholin-4-yl-3-[6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-morpholino-3-[6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-(4-morpholinyl)-3-[6-[4-(4-nitrophenyl)-1-piperazinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-morpholin-4-yl-3-[6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-(4-nitrophenyl)piperazino]hexyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C28H34N6O5S MolecularWeight: 566.67176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

InChI

InChI=1S/C28H34N6O5S/c35-26(32-14-12-30(13-15-32)21-5-7-22(8-6-21)34(37)38)4-2-1-3-11-33-27(36)24-20-23(31-16-18-39-19-17-31)9-10-25(24)29-28(33)40/h5-10,20H,1-4,11-19H2,(H,29,40)