7-(4-ethoxyphenyl)-N-[4-[[methyl-(4-oxidanylidenecyclohexyl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide

Systemtic Name: 7-(4-ethoxyphenyl)-N-[4-[[methyl-(4-oxidanylidenecyclohexyl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-(4-ethoxyphenyl)-N-[4-[[methyl-(4-oxocyclohexyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-(4-ethoxyphenyl)-N-[4-[[methyl-(4-oxocyclohexyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-(4-ethoxyphenyl)-N-[4-[[methyl-(4-oxocyclohexyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[(4-ketocyclohexyl)-methyl-amino]methyl]phenyl]-7-p-phenetyl-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C33H36N2O5S MolecularWeight: 572.71434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCC(=O)CC5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCC(=O)CC5

InChI

InChI=1S/C33H36N2O5S/c1-3-40-31-15-6-24(7-16-31)25-8-17-32-27(20-25)21-26(18-19-41(32,38)39)33(37)34-28-9-4-23(5-10-28)22-35(2)29-11-13-30(36)14-12-29/h4-10,15-17,20-21,29H,3,11-14,18-19,22H2,1-2H3,(H,34,37)