methyl 2-[[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(4-tert-butylthiazol-2-yl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(4-tert-butyl-2-thiazolyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(4-tert-butylthiazol-2-yl)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H27N3O2S2/c1-21(2,3)17-13-28-18(23-17)14-9-11-24(12-10-14)20(27)22-16-8-6-5-7-15(16)19(25)26-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,27)