3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-3-p-cumenylacryloyl]thiocarbamoylamino]benzoic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-13(2)15-9-6-14(7-10-15)8-11-18(23)22-20(26)21-17-5-3-4-16(12-17)19(24)25/h3-13H,1-2H3,(H,24,25)(H2,21,22,23,26)/b11-8+