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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=S)NC(C)CCCC(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=S)N[C@@H](C)CCCC(C)C)F

InChI

InChI=1S/C17H27FN4S2/c1-11(2)6-5-7-13(4)19-16(23)21-22-17(24)20-14-9-8-12(3)15(18)10-14/h8-11,13H,5-7H2,1-4H3,(H2,19,21,23)(H2,20,22,24)/t13-/m0/s1