7-[(4-fluorophenyl)methoxy]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3,4,5-tetrahydro-1$l^{6}-benzothiepine-4-carboxamide

Systemtic Name: 7-[(4-fluorophenyl)methoxy]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3,4,5-tetrahydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-[(4-fluorophenyl)methoxy]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3,4,5-tetrahydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-[(4-fluorophenyl)methoxy]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-2,3,4,5-tetrahydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-[(4-fluorophenyl)methoxy]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3,4,5-tetrahydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 7-(4-fluorobenzyl)oxy-1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3,4,5-tetrahydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C31H35FN2O5S MolecularWeight: 566.683403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)NC(=O)C2CCS(=O)(=O)C3=C(C2)C=C(C=C3)OCC4=CC=C(C=C4)F)C5CCOCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2CCS(=O)(=O)C3=C(C2)C=C(C=C3)OCC4=CC=C(C=C4)F)C5CCOCC5

InChI

InChI=1S/C31H35FN2O5S/c1-34(28-12-15-38-16-13-28)20-22-4-8-27(9-5-22)33-31(35)24-14-17-40(36,37)30-11-10-29(19-25(30)18-24)39-21-23-2-6-26(32)7-3-23/h2-11,19,24,28H,12-18,20-21H2,1H3,(H,33,35)