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

Systemtic Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide; sulfuric acid Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide; sulfuric acid CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide; sulfuric acid IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide; sulfuric acid Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide; sulfuric acid Formula: C35H44N2O10S2 MolecularWeight: 716.86126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5.OS(=O)(=O)O

Isomeric SMILES

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5.OS(=O)(=O)O

InChI

InChI=1S/C35H42N2O6S.H2O4S/c1-3-17-41-20-21-43-33-11-6-27(7-12-33)28-8-13-34-30(23-28)24-29(16-22-44(34,39)40)35(38)36-31-9-4-26(5-10-31)25-37(2)32-14-18-42-19-15-32;1-5(2,3)4/h4-13,23-24,32H,3,14-22,25H2,1-2H3,(H,36,38);(H2,1,2,3,4)