7-[4-(2-methoxyethyl)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-[4-(2-methoxyethyl)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-[4-(2-methoxyethyl)phenyl]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-[4-(2-methoxyethyl)phenyl]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-[4-(2-methoxyethyl)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-7-[4-(2-methoxyethyl)phenyl]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C33H38N2O5S MolecularWeight: 574.73022

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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)CCOC)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)CCOC)S(=O)(=O)CC2)C5CCOCC5

InChI

InChI=1S/C33H38N2O5S/c1-35(31-14-18-40-19-15-31)23-25-5-10-30(11-6-25)34-33(36)28-16-20-41(37,38)32-12-9-27(21-29(32)22-28)26-7-3-24(4-8-26)13-17-39-2/h3-12,21-22,31H,13-20,23H2,1-2H3,(H,34,36)