N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-[4-(oxan-4-yloxy)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-(oxan-4-yloxy)phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-(4-tetrahydropyran-4-yloxyphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-7-[4-(4-oxanyloxy)phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-[4-(oxan-4-yloxy)phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(4-tetrahydropyran-4-yloxyphenyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C35H40N2O6S MolecularWeight: 616.7669

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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)OC5CCOCC5)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)OC5CCOCC5)S(=O)(=O)CC2)C6CCOCC6

InChI

InChI=1S/C35H40N2O6S/c1-37(31-12-17-41-18-13-31)24-25-2-7-30(8-3-25)36-35(38)28-16-21-44(39,40)34-11-6-27(22-29(34)23-28)26-4-9-32(10-5-26)43-33-14-19-42-20-15-33/h2-11,22-23,31,33H,12-21,24H2,1H3,(H,36,38)