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

Systemtic Name: methyl 2-[2-[(2-chloranyl-4-methyl-phenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(2-chloro-4-methyl-phenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(2-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-chloro-4-methylphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(2-chloro-4-methyl-phenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C17H24ClN3O3S MolecularWeight: 385.90876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O3S/c1-4-5-6-14(16(23)24-3)20-15(22)10-19-17(25)21-13-8-7-11(2)9-12(13)18/h7-9,14H,4-6,10H2,1-3H3,(H,20,22)(H2,19,21,25)