N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-[4-(pyridin-2-ylmethoxy)phenyl]-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-[4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(2-pyridylmethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(2-pyridinylmethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(2-pyridylmethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C36H37N3O5S MolecularWeight: 623.76108

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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)OCC5=CC=CC=N5)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)OCC5=CC=CC=N5)S(=O)(=O)CC2)C6CCOCC6

InChI

InChI=1S/C36H37N3O5S/c1-39(33-15-19-43-20-16-33)24-26-5-10-31(11-6-26)38-36(40)29-17-21-45(41,42)35-14-9-28(22-30(35)23-29)27-7-12-34(13-8-27)44-25-32-4-2-3-18-37-32/h2-14,18,22-23,33H,15-17,19-21,24-25H2,1H3,(H,38,40)