7-[2-chloranyl-4-(2-propoxyethyl)phenyl]-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-chloranyl-4-(2-propoxyethyl)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-[2-chloro-4-(2-propoxyethyl)phenyl]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-[2-chloro-4-(2-propoxyethyl)phenyl]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-[2-chloro-4-(2-propoxyethyl)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 7-[2-chloro-4-(2-propoxyethyl)phenyl]-1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C35H41ClN2O5S MolecularWeight: 637.22844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCC1=CC(=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)Cl

Isomeric SMILES

CCCOCCC1=CC(=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)Cl

InChI

InChI=1S/C35H41ClN2O5S/c1-3-16-42-17-12-25-6-10-32(33(36)21-25)27-7-11-34-29(22-27)23-28(15-20-44(34,40)41)35(39)37-30-8-4-26(5-9-30)24-38(2)31-13-18-43-19-14-31/h4-11,21-23,31H,3,12-20,24H2,1-2H3,(H,37,39)