N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-(4-propylsulfanylphenyl)-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-propylsulfanylphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-(4-propylsulfanylphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(propylthio)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-(4-propylsulfanylphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(propylthio)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C33H38N2O4S2 MolecularWeight: 590.79582

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=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

CCCSC1=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/C33H38N2O4S2/c1-3-19-40-31-11-6-25(7-12-31)26-8-13-32-28(21-26)22-27(16-20-41(32,37)38)33(36)34-29-9-4-24(5-10-29)23-35(2)30-14-17-39-18-15-30/h4-13,21-22,30H,3,14-20,23H2,1-2H3,(H,34,36)