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

Systemtic Name: methyl 2-[(4-cycloheptylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 2-[(4-cycloheptylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 2-[[(4-cycloheptyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-cycloheptylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 2-[(4-cycloheptylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3CCCCCC3

InChI

InChI=1S/C20H29N3O2S/c1-25-19(24)17-10-6-7-11-18(17)21-20(26)23-14-12-22(13-15-23)16-8-4-2-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3,(H,21,26)