N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-(4-piperidin-1-ylphenyl)-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-piperidin-1-ylphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(1-piperidyl)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-7-[4-(1-piperidinyl)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-(4-piperidin-1-ylphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(4-piperidinophenyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C35H41N3O4S MolecularWeight: 599.78274

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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)N5CCCCC5)S(=O)(=O)CC2)C6CCOCC6

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)N5CCCCC5)S(=O)(=O)CC2)C6CCOCC6

InChI

InChI=1S/C35H41N3O4S/c1-37(32-15-20-42-21-16-32)25-26-5-10-31(11-6-26)36-35(39)29-17-22-43(40,41)34-14-9-28(23-30(34)24-29)27-7-12-33(13-8-27)38-18-3-2-4-19-38/h5-14,23-24,32H,2-4,15-22,25H2,1H3,(H,36,39)