dimethyl 5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-13-4-6-14(7-5-13)8-9-18(24)23-21(29)22-17-11-15(19(25)27-2)10-16(12-17)20(26)28-3/h4-12H,1-3H3,(H2,22,23,24,29)/b9-8+