N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-[[4-(propoxymethyl)phenyl]methoxy]-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-(propoxymethyl)phenyl]methoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[[4-(propoxymethyl)phenyl]methoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-7-[[4-(propoxymethyl)phenyl]methoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[[4-(propoxymethyl)phenyl]methoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(propoxymethyl)benzyl]oxy-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C35H42N2O6S MolecularWeight: 618.78278

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=CC=C(C=C1)COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5

Isomeric SMILES

CCCOCC1=CC=C(C=C1)COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5

InChI

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