7-(2-butylsulfanylphenyl)-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-butylsulfanylphenyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-(2-butylsulfanylphenyl)-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-[2-(butylthio)phenyl]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-(2-butylsulfanylphenyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 7-[2-(butylthio)phenyl]-1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C34H40N2O4S2 MolecularWeight: 604.8224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5

Isomeric SMILES

CCCCSC1=CC=CC=C1C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5

InChI

InChI=1S/C34H40N2O4S2/c1-3-4-20-41-32-8-6-5-7-31(32)26-11-14-33-28(22-26)23-27(17-21-42(33,38)39)34(37)35-29-12-9-25(10-13-29)24-36(2)30-15-18-40-19-16-30/h5-14,22-23,30H,3-4,15-21,24H2,1-2H3,(H,35,37)