N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-[4-(2-morpholin-4-ylethoxy)phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide

Systemtic Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-[4-(2-morpholin-4-ylethoxy)phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(2-morpholinoethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-7-[4-[2-(4-morpholinyl)ethoxy]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-[4-(2-morpholin-4-ylethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(2-morpholinoethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C36H43N3O6S MolecularWeight: 645.80812

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)OCCN5CCOCC5)S(=O)(=O)CC2)C6CCOCC6

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)OCCN5CCOCC5)S(=O)(=O)CC2)C6CCOCC6

InChI

InChI=1S/C36H43N3O6S/c1-38(33-12-18-43-19-13-33)26-27-2-7-32(8-3-27)37-36(40)30-14-23-46(41,42)35-11-6-29(24-31(35)25-30)28-4-9-34(10-5-28)45-22-17-39-15-20-44-21-16-39/h2-11,24-25,33H,12-23,26H2,1H3,(H,37,40)