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

Systemtic Name: 7-[(2-methoxyphenyl)methoxy]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-[(2-methoxyphenyl)methoxy]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-[(2-methoxyphenyl)methoxy]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-[(2-methoxyphenyl)methoxy]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-o-anisyloxy-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C32H36N2O6S MolecularWeight: 576.70304

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)OCC4=CC=CC=C4OC)S(=O)(=O)CC2)C5CCOCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)OCC4=CC=CC=C4OC)S(=O)(=O)CC2)C5CCOCC5

InChI

InChI=1S/C32H36N2O6S/c1-34(28-13-16-39-17-14-28)21-23-7-9-27(10-8-23)33-32(35)24-15-18-41(36,37)31-12-11-29(20-26(31)19-24)40-22-25-5-3-4-6-30(25)38-2/h3-12,19-20,28H,13-18,21-22H2,1-2H3,(H,33,35)