(E)-4-[4-[carbamothioyl(ethyl)amino]phenyl]but-3-enoic acid

Systemtic Name: (E)-4-[4-[carbamothioyl(ethyl)amino]phenyl]but-3-enoic acid Openeye Name: (E)-4-[4-[carbamothioyl(ethyl)amino]phenyl]but-3-enoic acid CAS Name: (E)-4-[4-[carbamothioyl(ethyl)amino]phenyl]-3-butenoic acid IUPAC Name: (E)-4-[4-[carbamothioyl(ethyl)amino]phenyl]but-3-enoic acid Traditional Name: (E)-4-[4-[ethyl(thiocarbamoyl)amino]phenyl]but-3-enoic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C=CCC(=O)O)C(=S)N

Isomeric SMILES

CCN(C1=CC=C(C=C1)/C=C/CC(=O)O)C(=S)N

InChI

InChI=1S/C13H16N2O2S/c1-2-15(13(14)18)11-8-6-10(7-9-11)4-3-5-12(16)17/h3-4,6-9H,2,5H2,1H3,(H2,14,18)(H,16,17)/b4-3+