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

Systemtic Name: methyl 4-morpholin-4-yl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-morpholino-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-28-21(27)17-8-9-19(25-11-13-29-14-12-25)18(15-17)23-22(30)24-20(26)10-7-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H2,23,24,26,30)/b10-7+