2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid Openeye Name: 2-[3-(4-isopropylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid CAS Name: 2-[[[[1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]benzoic acid Traditional Name: 2-[(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=C2C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)O

InChI

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