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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[[(1S,2S)-2-methylcyclohexyl]thiocarbamoylamino]thiourea Formula: C16H23FN4S2 MolecularWeight: 354.509023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H23FN4S2/c1-11-4-2-3-5-14(11)19-16(23)21-20-15(22)18-10-12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H2,18,20,22)(H2,19,21,23)/t11-,14-/m0/s1