ethyl 4-[(4-cyclohexylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-cyclohexylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-cyclohexyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C20H29N3O2S/c1-2-25-19(24)16-8-10-17(11-9-16)21-20(26)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h8-11,18H,2-7,12-15H2,1H3,(H,21,26)