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

Systemtic Name: methyl 6-[[(4-phenyl-1,3-thiazol-2-yl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(4-phenylthiazol-2-yl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(4-phenyl-2-thiazolyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-phenyl-1,3-thiazol-2-yl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(4-phenylthiazol-2-yl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H22N4O2S2 MolecularWeight: 378.51218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O2S2/c1-23-15(22)10-6-3-7-11-18-16(24)20-21-17-19-14(12-25-17)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,19,21)(H2,18,20,24)