methyl 6-[[(1R)-1-(3-bromanyl-4-methoxy-phenyl)ethyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(1R)-1-(3-bromanyl-4-methoxy-phenyl)ethyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(1R)-1-(3-bromo-4-methoxy-phenyl)ethyl]carbamothioylamino]hexanoate CAS Name: 6-[[[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamothioylamino]hexanoate Traditional Name: 6-[[(1R)-1-(3-bromo-4-methoxy-phenyl)ethyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25BrN2O3S MolecularWeight: 417.361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O3S/c1-12(13-8-9-15(22-2)14(18)11-13)20-17(24)19-10-6-4-5-7-16(21)23-3/h8-9,11-12H,4-7,10H2,1-3H3,(H2,19,20,24)/t12-/m1/s1