methyl 6-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[(2R)-2-(2-naphthyloxy)propanoyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(2R)-2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[(2R)-2-(2-naphthoxy)propanoyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCCCCC(=O)OC)OC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

C[C@H](C(=O)NNC(=S)NCCCCCC(=O)OC)OC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H27N3O4S/c1-15(28-18-12-11-16-8-5-6-9-17(16)14-18)20(26)23-24-21(29)22-13-7-3-4-10-19(25)27-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13H2,1-2H3,(H,23,26)(H2,22,24,29)/t15-/m1/s1