1-(3-fluoranyl-4-methyl-phenyl)-3-(pentylcarbamothioylamino)thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-(pentylcarbamothioylamino)thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-(pentylcarbamothioylamino)thiourea CAS Name: 1-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-3-pentylthiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-(pentylcarbamothioylamino)thiourea Traditional Name: 1-amyl-3-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]thiourea Formula: C14H21FN4S2 MolecularWeight: 328.471743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN4S2/c1-3-4-5-8-16-13(20)18-19-14(21)17-11-7-6-10(2)12(15)9-11/h6-7,9H,3-5,8H2,1-2H3,(H2,16,18,20)(H2,17,19,21)