methyl 2-[2-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-chloro-2-methoxyphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C17H24ClN3O4S MolecularWeight: 401.90816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O4S/c1-4-5-6-12(16(23)25-3)20-15(22)10-19-17(26)21-13-9-11(18)7-8-14(13)24-2/h7-9,12H,4-6,10H2,1-3H3,(H,20,22)(H2,19,21,26)