1-[[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-5-yl]methyl]-3-(4-chlorophenyl)thiourea

Systemtic Name: 1-[[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-5-yl]methyl]-3-(4-chlorophenyl)thiourea Openeye Name: 1-(4-chlorophenyl)-3-[[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-5-yl]methyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[2-(2,6-dioxo-3-piperidinyl)-1,3-dioxo-5-isoindolyl]methyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[[2-(2,6-diketo-3-piperidyl)-1,3-diketo-isoindolin-5-yl]methyl]thiourea Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)CNC(=S)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)CNC(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O4S/c22-12-2-4-13(5-3-12)24-21(31)23-10-11-1-6-14-15(9-11)20(30)26(19(14)29)16-7-8-17(27)25-18(16)28/h1-6,9,16H,7-8,10H2,(H2,23,24,31)(H,25,27,28)