methyl 6-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamothioyl]amino]hexanoate CAS Name: 6-[[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylcarbamothioyl]amino]hexanoate Traditional Name: 6-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H25N3O2S2/c1-13(17-20-14-9-6-7-10-15(14)25-17)21(2)18(24)19-12-8-4-5-11-16(22)23-3/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,19,24)/t13-/m1/s1