2-[7-(4-methylpiperazin-1-yl)carbonylthianthren-1-yl]-6-morpholin-4-yl-pyran-4-one

Systemtic Name: 2-[7-(4-methylpiperazin-1-yl)carbonylthianthren-1-yl]-6-morpholin-4-yl-pyran-4-one Openeye Name: 2-[7-(4-methylpiperazine-1-carbonyl)thianthren-1-yl]-6-morpholino-pyran-4-one CAS Name: 2-[7-[(4-methyl-1-piperazinyl)-oxomethyl]-1-thianthrenyl]-6-(4-morpholinyl)-4-pyranone IUPAC Name: 2-[7-(4-methylpiperazine-1-carbonyl)thianthren-1-yl]-6-morpholin-4-ylpyran-4-one Traditional Name: 2-[7-(4-methylpiperazine-1-carbonyl)thianthren-1-yl]-6-morpholino-pyran-4-one Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=C(C=CC=C4S3)C5=CC(=O)C=C(O5)N6CCOCC6

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=C(C=CC=C4S3)C5=CC(=O)C=C(O5)N6CCOCC6

InChI

InChI=1S/C27H27N3O4S2/c1-28-7-9-30(10-8-28)27(32)18-5-6-22-24(15-18)35-23-4-2-3-20(26(23)36-22)21-16-19(31)17-25(34-21)29-11-13-33-14-12-29/h2-6,15-17H,7-14H2,1H3