7-[4-[2-ethoxyethyl(ethyl)amino]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-ethoxyethyl(ethyl)amino]phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-[4-[2-ethoxyethyl(ethyl)amino]phenyl]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-[4-[2-ethoxyethyl(ethyl)amino]phenyl]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-[4-[2-ethoxyethyl(ethyl)amino]phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 7-[4-[2-ethoxyethyl(ethyl)amino]phenyl]-1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C36H45N3O5S MolecularWeight: 631.8246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H45N3O5S/c1-4-39(19-22-43-5-2)34-13-8-28(9-14-34)29-10-15-35-31(24-29)25-30(18-23-45(35,41)42)36(40)37-32-11-6-27(7-12-32)26-38(3)33-16-20-44-21-17-33/h6-15,24-25,33H,4-5,16-23,26H2,1-3H3,(H,37,40)