7-[(2-chlorophenyl)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-chlorophenyl)methoxy]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-[(2-chlorophenyl)methoxy]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-[(2-chlorophenyl)methoxy]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-[(2-chlorophenyl)methoxy]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 7-(2-chlorobenzyl)oxy-1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C31H33ClN2O5S MolecularWeight: 581.12212

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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=C4Cl)S(=O)(=O)CC2)C5CCOCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)OCC4=CC=CC=C4Cl)S(=O)(=O)CC2)C5CCOCC5

InChI

InChI=1S/C31H33ClN2O5S/c1-34(27-12-15-38-16-13-27)20-22-6-8-26(9-7-22)33-31(35)23-14-17-40(36,37)30-11-10-28(19-25(30)18-23)39-21-24-4-2-3-5-29(24)32/h2-11,18-19,27H,12-17,20-21H2,1H3,(H,33,35)