methyl 4-morpholin-4-yl-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-morpholino-3-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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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=C(O3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S/c1-32-25(31)19-7-10-22(29-13-15-33-16-14-29)21(17-19)27-26(35)28-24(30)12-9-20-8-11-23(34-20)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H2,27,28,30,35)/b12-9+