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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C24H30N4O4S MolecularWeight: 470.5844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4S/c1-4-27-10-12-28(13-11-27)21-9-8-18(23(30)31-3)15-20(21)25-24(33)26-22(29)16-32-19-7-5-6-17(2)14-19/h5-9,14-15H,4,10-13,16H2,1-3H3,(H2,25,26,29,33)