4-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxidanylidene-pyran-2-yl)-9H-thioxanthen-2-yl]butanamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxidanylidene-pyran-2-yl)-9H-thioxanthen-2-yl]butanamide Openeye Name: 4-(4-methylpiperazin-1-yl)-N-[5-(6-morpholino-4-oxo-pyran-2-yl)-9H-thioxanthen-2-yl]butanamide CAS Name: 4-(4-methyl-1-piperazinyl)-N-[5-[6-(4-morpholinyl)-4-oxo-2-pyranyl]-9H-thioxanthen-2-yl]butanamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]butanamide Traditional Name: N-[5-(4-keto-6-morpholino-pyran-2-yl)-9H-thioxanthen-2-yl]-4-(4-methylpiperazino)butyramide Formula: C31H36N4O4S MolecularWeight: 560.70694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCC(=O)NC2=CC3=C(C=C2)SC4=C(C=CC=C4C3)C5=CC(=O)C=C(O5)N6CCOCC6

Isomeric SMILES

CN1CCN(CC1)CCCC(=O)NC2=CC3=C(C=C2)SC4=C(C=CC=C4C3)C5=CC(=O)C=C(O5)N6CCOCC6

InChI

InChI=1S/C31H36N4O4S/c1-33-10-12-34(13-11-33)9-3-6-29(37)32-24-7-8-28-23(19-24)18-22-4-2-5-26(31(22)40-28)27-20-25(36)21-30(39-27)35-14-16-38-17-15-35/h2,4-5,7-8,19-21H,3,6,9-18H2,1H3,(H,32,37)