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

Systemtic Name: methyl 6-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-methylthiazol-4-yl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(2-methyl-4-thiazolyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(2-methylthiazol-4-yl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S2/c1-13-20-16(12-25-13)14-7-9-15(10-8-14)21-18(24)19-11-5-3-4-6-17(22)23-2/h7-10,12H,3-6,11H2,1-2H3,(H2,19,21,24)