1-[[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1-oxidanylidene-3H-isoindol-4-yl]methyl]-3-cyclohexyl-thiourea

Systemtic Name: 1-[[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1-oxidanylidene-3H-isoindol-4-yl]methyl]-3-cyclohexyl-thiourea Openeye Name: 1-cyclohexyl-3-[[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-4-yl]methyl]thiourea CAS Name: 1-cyclohexyl-3-[[2-(2,6-dioxo-3-piperidinyl)-1-oxo-3H-isoindol-4-yl]methyl]thiourea IUPAC Name: 1-cyclohexyl-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]thiourea Traditional Name: 1-cyclohexyl-3-[[2-(2,6-diketo-3-piperidyl)-1-keto-isoindolin-4-yl]methyl]thiourea Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NCC2=CC=CC3=C2CN(C3=O)C4CCC(=O)NC4=O

Isomeric SMILES

C1CCC(CC1)NC(=S)NCC2=CC=CC3=C2CN(C3=O)C4CCC(=O)NC4=O

InChI

InChI=1S/C21H26N4O3S/c26-18-10-9-17(19(27)24-18)25-12-16-13(5-4-8-15(16)20(25)28)11-22-21(29)23-14-6-2-1-3-7-14/h4-5,8,14,17H,1-3,6-7,9-12H2,(H2,22,23,29)(H,24,26,27)