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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25FN4S2/c1-3-4-5-6-12(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