methyl 6-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-chloro-2-methoxyphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H21ClN2O3S MolecularWeight: 344.85684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C15H21ClN2O3S/c1-20-13-8-7-11(16)10-12(13)18-15(22)17-9-5-3-4-6-14(19)21-2/h7-8,10H,3-6,9H2,1-2H3,(H2,17,18,22)