ethyl 4-(4-ethylpiperazin-1-yl)-3-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[[2-(4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[2-(4-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)COC3=CC=C(C=C3)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)COC3=CC=C(C=C3)C

InChI

InChI=1S/C25H32N4O4S/c1-4-28-12-14-29(15-13-28)22-11-8-19(24(31)32-5-2)16-21(22)26-25(34)27-23(30)17-33-20-9-6-18(3)7-10-20/h6-11,16H,4-5,12-15,17H2,1-3H3,(H2,26,27,30,34)