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

Systemtic Name: methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C20H21N3O5S/c1-26-19(25)14-4-6-17(23-8-11-27-12-9-23)16(13-14)21-20(29)22-18(24)7-5-15-3-2-10-28-15/h2-7,10,13H,8-9,11-12H2,1H3,(H2,21,22,24,29)/b7-5+