1-(3-fluoranyl-4-methyl-phenyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27FN4S2/c1-4-5-6-7-12(2)11-19-16(23)21-22-17(24)20-14-9-8-13(3)15(18)10-14/h8-10,12H,4-7,11H2,1-3H3,(H2,19,21,23)(H2,20,22,24)/t12-/m0/s1