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

Systemtic Name: methyl 6-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-methylthiazol-4-yl)phenyl]methylcarbamothioylamino]hexanoate CAS Name: 6-[[[[4-(2-methyl-4-thiazolyl)phenyl]methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamothioylamino]hexanoate Traditional Name: 6-[[4-(2-methylthiazol-4-yl)benzyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H25N3O2S2/c1-14-22-17(13-26-14)16-9-7-15(8-10-16)12-21-19(25)20-11-5-3-4-6-18(23)24-2/h7-10,13H,3-6,11-12H2,1-2H3,(H2,20,21,25)