methyl 2-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C18H26ClN3O5S MolecularWeight: 431.93414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC(=C(C=C1OC)Cl)OC

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC(=C(C=C1OC)Cl)OC

InChI

InChI=1S/C18H26ClN3O5S/c1-5-6-7-12(17(24)27-4)21-16(23)10-20-18(28)22-13-9-14(25-2)11(19)8-15(13)26-3/h8-9,12H,5-7,10H2,1-4H3,(H,21,23)(H2,20,22,28)