methyl 4-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]butyric acid methyl ester Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCC[C@H](C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H23N3O2S2/c1-23-16(22)9-4-10-19-18(24)21-11-5-6-13(12-21)17-20-14-7-2-3-8-15(14)25-17/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,19,24)/t13-/m1/s1