methyl 2-[[4-[[(2S)-2-ethylhexyl]carbamothioylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[[(2S)-2-ethylhexyl]carbamothioylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[(2S)-2-ethylhexyl]carbamothioylamino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[(2S)-2-ethylhexyl]carbamothioylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[(2S)-2-ethylhexyl]thiocarbamoylamino]benzoyl]amino]acetic acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-4-6-7-14(5-2)12-21-19(26)22-16-10-8-15(9-11-16)18(24)20-13-17(23)25-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,24)(H2,21,22,26)/t14-/m0/s1