1-(4-fluorophenyl)-3-(pentylcarbamothioylamino)thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-(pentylcarbamothioylamino)thiourea Openeye Name: 1-(4-fluorophenyl)-3-(pentylcarbamothioylamino)thiourea CAS Name: 1-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-3-pentylthiourea IUPAC Name: 1-(4-fluorophenyl)-3-(pentylcarbamothioylamino)thiourea Traditional Name: 1-amyl-3-[(4-fluorophenyl)thiocarbamoylamino]thiourea Formula: C13H19FN4S2 MolecularWeight: 314.445163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=S)NC1=CC=C(C=C1)F

Isomeric SMILES

CCCCCNC(=S)NNC(=S)NC1=CC=C(C=C1)F

InChI

InChI=1S/C13H19FN4S2/c1-2-3-4-9-15-12(19)17-18-13(20)16-11-7-5-10(14)6-8-11/h5-8H,2-4,9H2,1H3,(H2,15,17,19)(H2,16,18,20)