N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-(4-pentylsulfanylphenyl)-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-pentylsulfanylphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-(4-pentylsulfanylphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(pentylthio)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-(4-pentylsulfanylphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 7-[4-(amylthio)phenyl]-1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C35H42N2O4S2 MolecularWeight: 618.84898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=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

CCCCCSC1=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/C35H42N2O4S2/c1-3-4-5-21-42-33-13-8-27(9-14-33)28-10-15-34-30(23-28)24-29(18-22-43(34,39)40)35(38)36-31-11-6-26(7-12-31)25-37(2)32-16-19-41-20-17-32/h6-15,23-24,32H,3-5,16-22,25H2,1-2H3,(H,36,38)