1-(2-ethyl-6-methyl-phenyl)-3-[[4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[oxo-[4-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[4-[(2-ketopyrrolidino)methyl]benzoyl]amino]thiourea Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C

InChI

InChI=1S/C22H26N4O2S/c1-3-17-7-4-6-15(2)20(17)23-22(29)25-24-21(28)18-11-9-16(10-12-18)14-26-13-5-8-19(26)27/h4,6-7,9-12H,3,5,8,13-14H2,1-2H3,(H,24,28)(H2,23,25,29)