1-butyl-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylcarbamothioylamino]urea

Systemtic Name: 1-butyl-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylcarbamothioylamino]urea Openeye Name: 1-butyl-3-[3-[3-(1-piperidylmethyl)phenoxy]propylcarbamothioylamino]urea CAS Name: 1-butyl-3-[[[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-sulfanylidenemethyl]amino]urea IUPAC Name: 1-butyl-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylcarbamothioylamino]urea Traditional Name: 1-butyl-3-[3-[3-(piperidinomethyl)phenoxy]propylthiocarbamoylamino]urea Formula: C21H35N5O2S MolecularWeight: 421.5999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NNC(=S)NCCCOC1=CC=CC(=C1)CN2CCCCC2

Isomeric SMILES

CCCCNC(=O)NNC(=S)NCCCOC1=CC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C21H35N5O2S/c1-2-3-11-22-20(27)24-25-21(29)23-12-8-15-28-19-10-7-9-18(16-19)17-26-13-5-4-6-14-26/h7,9-10,16H,2-6,8,11-15,17H2,1H3,(H2,22,24,27)(H2,23,25,29)