N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-[4-(trifluoromethyl)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-(trifluoromethyl)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C31H31F3N2O4S MolecularWeight: 584.64905

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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)C(F)(F)F)S(=O)(=O)CC2)C5CCOCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C(F)(F)F)S(=O)(=O)CC2)C5CCOCC5

InChI

InChI=1S/C31H31F3N2O4S/c1-36(28-12-15-40-16-13-28)20-21-2-9-27(10-3-21)35-30(37)24-14-17-41(38,39)29-11-6-23(18-25(29)19-24)22-4-7-26(8-5-22)31(32,33)34/h2-11,18-19,28H,12-17,20H2,1H3,(H,35,37)