1-[(4-fluorophenyl)methyl]-3-(pentylcarbamothioylamino)thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(pentylcarbamothioylamino)thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(pentylcarbamothioylamino)thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[(pentylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(pentylcarbamothioylamino)thiourea Traditional Name: 1-amyl-3-[(4-fluorobenzyl)thiocarbamoylamino]thiourea Formula: C14H21FN4S2 MolecularWeight: 328.471743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=S)NCC1=CC=C(C=C1)F

Isomeric SMILES

CCCCCNC(=S)NNC(=S)NCC1=CC=C(C=C1)F

InChI

InChI=1S/C14H21FN4S2/c1-2-3-4-9-16-13(20)18-19-14(21)17-10-11-5-7-12(15)8-6-11/h5-8H,2-4,9-10H2,1H3,(H2,16,18,20)(H2,17,19,21)