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

Systemtic Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S2/c1-26-20(25)15-6-2-3-7-16(15)23-21(27)24-12-10-14(11-13-24)19-22-17-8-4-5-9-18(17)28-19/h2-9,14H,10-13H2,1H3,(H,23,27)