methyl 6-[[2-(4-phenyl-1,3-thiazol-2-yl)ethanoylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(4-phenyl-1,3-thiazol-2-yl)ethanoylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[2-(4-phenylthiazol-2-yl)acetyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[1-oxo-2-(4-phenyl-2-thiazolyl)ethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[2-(4-phenyl-1,3-thiazol-2-yl)acetyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[2-(4-phenylthiazol-2-yl)acetyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)CC1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)CC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C19H24N4O3S2/c1-26-18(25)10-6-3-7-11-20-19(27)23-22-16(24)12-17-21-15(13-28-17)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,22,24)(H2,20,23,27)