methyl 4-morpholin-4-yl-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[[(E)-3-p-cumenylacryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C25H29N3O4S/c1-17(2)19-7-4-18(5-8-19)6-11-23(29)27-25(33)26-21-16-20(24(30)31-3)9-10-22(21)28-12-14-32-15-13-28/h4-11,16-17H,12-15H2,1-3H3,(H2,26,27,29,33)/b11-6+