7-(4-cyano-3-propoxy-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-cyano-3-propoxy-phenyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-(4-cyano-3-propoxy-phenyl)-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-(4-cyano-3-propoxyphenyl)-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-(4-cyano-3-propoxyphenyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 7-(4-cyano-3-propoxy-phenyl)-1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C34H37N3O5S MolecularWeight: 599.73968

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)C#N

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)C#N

InChI

InChI=1S/C34H37N3O5S/c1-3-15-42-32-21-26(6-7-28(32)22-35)25-8-11-33-29(19-25)20-27(14-18-43(33,39)40)34(38)36-30-9-4-24(5-10-30)23-37(2)31-12-16-41-17-13-31/h4-11,19-21,31H,3,12-18,23H2,1-2H3,(H,36,38)