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

Systemtic Name: 1-(4-fluorophenyl)-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiourea CAS Name: 1-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[[(1S,2S)-2-methylcyclohexyl]thiocarbamoylamino]thiourea Formula: C15H21FN4S2 MolecularWeight: 340.482443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C15H21FN4S2/c1-10-4-2-3-5-13(10)18-15(22)20-19-14(21)17-12-8-6-11(16)7-9-12/h6-10,13H,2-5H2,1H3,(H2,17,19,21)(H2,18,20,22)/t10-,13-/m0/s1