propyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: propyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: propyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H24N2O4S/c1-3-15-28-21(26)17-8-10-18(11-9-17)23-22(29)24-20(25)14-7-16-5-12-19(13-6-16)27-4-2/h5-14H,3-4,15H2,1-2H3,(H2,23,24,25,29)/b14-7+