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

Systemtic Name: methyl 2-[2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-chloro-4-fluorophenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C16H21ClFN3O3S MolecularWeight: 389.872643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClFN3O3S/c1-3-4-5-13(15(23)24-2)21-14(22)9-19-16(25)20-10-6-7-12(18)11(17)8-10/h6-8,13H,3-5,9H2,1-2H3,(H,21,22)(H2,19,20,25)