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

Systemtic Name: methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C23H25N3O5S/c1-29-18-7-3-16(4-8-18)5-10-21(27)25-23(32)24-19-15-17(22(28)30-2)6-9-20(19)26-11-13-31-14-12-26/h3-10,15H,11-14H2,1-2H3,(H2,24,25,27,32)/b10-5+