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

Systemtic Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-[3-(2-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[3-(2-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-7-[3-(2-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[3-(2-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[3-(2-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C36H44N2O6S MolecularWeight: 632.80936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCCOC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5

Isomeric SMILES

CCCOC1=CC=CC=C1CCCOC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5

InChI

InChI=1S/C36H44N2O6S/c1-3-19-44-34-9-5-4-7-28(34)8-6-20-43-33-14-15-35-30(25-33)24-29(18-23-45(35,40)41)36(39)37-31-12-10-27(11-13-31)26-38(2)32-16-21-42-22-17-32/h4-5,7,9-15,24-25,32H,3,6,8,16-23,26H2,1-2H3,(H,37,39)