methyl 6-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-chloro-2-methyl-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-chloro-2-methylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H21ClN2O2S MolecularWeight: 328.85744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C15H21ClN2O2S/c1-11-12(16)7-6-8-13(11)18-15(21)17-10-5-3-4-9-14(19)20-2/h6-8H,3-5,9-10H2,1-2H3,(H2,17,18,21)