1-tert-butyl-3-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[4-chloro-3-(2-ketopyrrolidino)benzoyl]amino]thiourea Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC(=C(C=C1)Cl)N2CCCC2=O

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC(=C(C=C1)Cl)N2CCCC2=O

InChI

InChI=1S/C16H21ClN4O2S/c1-16(2,3)18-15(24)20-19-14(23)10-6-7-11(17)12(9-10)21-8-4-5-13(21)22/h6-7,9H,4-5,8H2,1-3H3,(H,19,23)(H2,18,20,24)