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

Systemtic Name: (E)-4-[4-[carbamothioyl(methyl)amino]phenyl]but-3-enoic acid Openeye Name: (E)-4-[4-[carbamothioyl(methyl)amino]phenyl]but-3-enoic acid CAS Name: (E)-4-[4-[carbamothioyl(methyl)amino]phenyl]-3-butenoic acid IUPAC Name: (E)-4-[4-[carbamothioyl(methyl)amino]phenyl]but-3-enoic acid Traditional Name: (E)-4-[4-[methyl(thiocarbamoyl)amino]phenyl]but-3-enoic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-14(12(13)17)10-7-5-9(6-8-10)3-2-4-11(15)16/h2-3,5-8H,4H2,1H3,(H2,13,17)(H,15,16)/b3-2+