2-[2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]ethanoylamino]-4-methyl-pentanamide

Systemtic Name: 2-[2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]ethanoylamino]-4-methyl-pentanamide Openeye Name: 2-[[2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]acetyl]amino]-4-methyl-pentanamide CAS Name: 2-[[2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: 2-[[2-[(3-chloro-4-fluorophenyl)carbamothioylamino]acetyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]acetyl]amino]-4-methyl-valeramide Formula: C15H20ClFN4O2S MolecularWeight: 374.861303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)CNC(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)CNC(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C15H20ClFN4O2S/c1-8(2)5-12(14(18)23)21-13(22)7-19-15(24)20-9-3-4-11(17)10(16)6-9/h3-4,6,8,12H,5,7H2,1-2H3,(H2,18,23)(H,21,22)(H2,19,20,24)