ethyl 4-[[3-(4-ethylpiperazin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-(4-ethylpiperazin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[3-(4-ethylpiperazin-1-yl)propyl-(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(4-ethyl-1-piperazinyl)propyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-ethylpiperazin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[3-(4-ethylpiperazino)propyl-(2-thenyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C24H34N4O2S2 MolecularWeight: 474.68236

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C24H34N4O2S2/c1-3-26-14-16-27(17-15-26)12-6-13-28(19-22-7-5-18-32-22)24(31)25-21-10-8-20(9-11-21)23(29)30-4-2/h5,7-11,18H,3-4,6,12-17,19H2,1-2H3,(H,25,31)