methyl 2-[(4-cyclohexylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 2-[(4-cyclohexylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 2-[[(4-cyclohexyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C19H27N3O2S/c1-24-18(23)16-9-5-6-10-17(16)20-19(25)22-13-11-21(12-14-22)15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,25)