ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(4-cyclohexyl-1-piperazinyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(4-cyclohexylpiperazino)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C23H36N4O2S MolecularWeight: 432.62254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCN(CC2)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C23H36N4O2S/c1-2-29-22(28)19-9-11-20(12-10-19)25-23(30)24-13-6-14-26-15-17-27(18-16-26)21-7-4-3-5-8-21/h9-12,21H,2-8,13-18H2,1H3,(H2,24,25,30)