methyl 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamothioyl]amino]butanoate CAS Name: 4-[[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylcarbamothioyl]amino]butanoate Traditional Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S2/c1-11(15-18-12-7-4-5-8-13(12)23-15)19(2)16(22)17-10-6-9-14(20)21-3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,22)/t11-/m1/s1