1-[(2S)-2-ethylhexyl]-3-[(4-fluorophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(4-fluorophenyl)carbamothioylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(4-fluorophenyl)carbamothioylamino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(4-fluorophenyl)carbamothioylamino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[(4-fluorophenyl)thiocarbamoylamino]thiourea Formula: C16H25FN4S2 MolecularWeight: 356.524903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=S)NC1=CC=C(C=C1)F

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=S)NC1=CC=C(C=C1)F

InChI

InChI=1S/C16H25FN4S2/c1-3-5-6-12(4-2)11-18-15(22)20-21-16(23)19-14-9-7-13(17)8-10-14/h7-10,12H,3-6,11H2,1-2H3,(H2,18,20,22)(H2,19,21,23)/t12-/m0/s1