methyl 3-[[(2S)-2-ethylhexyl]carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-ethylhexyl]carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-ethylhexyl]carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-ethylhexyl]carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-ethylhexyl]thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(C=CC(=C1)C(=O)OC)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=C(C=CC(=C1)C(=O)OC)C

InChI

InChI=1S/C18H28N2O2S/c1-5-7-8-14(6-2)12-19-18(23)20-16-11-15(17(21)22-4)10-9-13(16)3/h9-11,14H,5-8,12H2,1-4H3,(H2,19,20,23)/t14-/m0/s1