1-[(4-fluorophenyl)methyl]-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea Openeye Name: 1-[(1S)-1,5-dimethylhexyl]-3-[(4-fluorophenyl)methylcarbamothioylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[[[(2S)-6-methylheptan-2-yl]amino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea Traditional Name: 1-[(1S)-1,5-dimethylhexyl]-3-[(4-fluorobenzyl)thiocarbamoylamino]thiourea Formula: C17H27FN4S2 MolecularWeight: 370.551483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)NNC(=S)NCC1=CC=C(C=C1)F

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=S)NNC(=S)NCC1=CC=C(C=C1)F

InChI

InChI=1S/C17H27FN4S2/c1-12(2)5-4-6-13(3)20-17(24)22-21-16(23)19-11-14-7-9-15(18)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3,(H2,19,21,23)(H2,20,22,24)/t13-/m0/s1