methyl 5-[[[(2S)-2-ethylhexyl]carbamothioylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[(2S)-2-ethylhexyl]carbamothioylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[(2S)-2-ethylhexyl]carbamothioylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[(2S)-2-ethylhexyl]carbamothioylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[(2S)-2-ethylhexyl]thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C19H30N2O3S MolecularWeight: 366.5181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NCC1=CC(=C(C=C1)OC)C(=O)OC

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NCC1=CC(=C(C=C1)OC)C(=O)OC

InChI

InChI=1S/C19H30N2O3S/c1-5-7-8-14(6-2)12-20-19(25)21-13-15-9-10-17(23-3)16(11-15)18(22)24-4/h9-11,14H,5-8,12-13H2,1-4H3,(H2,20,21,25)/t14-/m0/s1