4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: 4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 3-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]carbamothioylamino]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[[[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-methoxy-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-methoxy-3-[[(E)-3-p-cumenylacryloyl]thiocarbamoylamino]benzoate Formula: C21H21N2O4S- MolecularWeight: 397.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC

InChI

InChI=1S/C21H22N2O4S/c1-13(2)15-7-4-14(5-8-15)6-11-19(24)23-21(28)22-17-12-16(20(25)26)9-10-18(17)27-3/h4-13H,1-3H3,(H,25,26)(H2,22,23,24,28)/p-1/b11-6+