1-(4-butylphenyl)-3-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

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