methyl 6-[[(1S)-1-(4-chlorophenyl)ethyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(1S)-1-(4-chlorophenyl)ethyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(1S)-1-(4-chlorophenyl)ethyl]carbamothioylamino]hexanoate CAS Name: 6-[[[[(1S)-1-(4-chlorophenyl)ethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(1S)-1-(4-chlorophenyl)ethyl]carbamothioylamino]hexanoate Traditional Name: 6-[[(1S)-1-(4-chlorophenyl)ethyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Cl)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H23ClN2O2S/c1-12(13-7-9-14(17)10-8-13)19-16(22)18-11-5-3-4-6-15(20)21-2/h7-10,12H,3-6,11H2,1-2H3,(H2,18,19,22)/t12-/m0/s1