methyl 6-[[1,3-benzothiazol-2-ylmethyl(methyl)carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[1,3-benzothiazol-2-ylmethyl(methyl)carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[1,3-benzothiazol-2-ylmethyl(methyl)carbamothioyl]amino]hexanoate CAS Name: 6-[[[1,3-benzothiazol-2-ylmethyl(methyl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1,3-benzothiazol-2-ylmethyl(methyl)carbamothioyl]amino]hexanoate Traditional Name: 6-[[1,3-benzothiazol-2-ylmethyl(methyl)thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C17H23N3O2S2 MolecularWeight: 365.51342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H23N3O2S2/c1-20(12-15-19-13-8-5-6-9-14(13)24-15)17(23)18-11-7-3-4-10-16(21)22-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,23)