ethyl 4-[2-(4-methylpiperazin-1-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-methylpiperazin-1-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(4-methylpiperazin-1-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(4-methyl-1-piperazinyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylpiperazin-1-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(4-methylpiperazino)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)C

InChI

InChI=1S/C17H26N4O2S/c1-3-23-16(22)14-4-6-15(7-5-14)19-17(24)18-8-9-21-12-10-20(2)11-13-21/h4-7H,3,8-13H2,1-2H3,(H2,18,19,24)