7-(4-methoxyphenyl)-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-methoxyphenyl)-N-[4-[[methyl-(4-oxidanylidenecyclohexyl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: 7-(4-methoxyphenyl)-N-[4-[[methyl-(4-oxocyclohexyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: 7-(4-methoxyphenyl)-N-[4-[[methyl-(4-oxocyclohexyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: 7-(4-methoxyphenyl)-N-[4-[[methyl-(4-oxocyclohexyl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[(4-ketocyclohexyl)-methyl-amino]methyl]phenyl]-7-(4-methoxyphenyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C32H34N2O5S MolecularWeight: 558.68776

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)OC)S(=O)(=O)CC2)C5CCC(=O)CC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)OC)S(=O)(=O)CC2)C5CCC(=O)CC5

InChI

InChI=1S/C32H34N2O5S/c1-34(28-10-12-29(35)13-11-28)21-22-3-8-27(9-4-22)33-32(36)25-17-18-40(37,38)31-16-7-24(19-26(31)20-25)23-5-14-30(39-2)15-6-23/h3-9,14-16,19-20,28H,10-13,17-18,21H2,1-2H3,(H,33,36)