methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3S/c1-26-12-14-27(15-13-26)20-10-9-18(22(29)30-2)16-19(20)24-23(31)25-21(28)11-8-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H2,24,25,28,31)/b11-8+