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

Systemtic Name: (E)-4-[4-[carbamothioyl(propyl)amino]phenyl]but-3-enoic acid Openeye Name: (E)-4-[4-[carbamothioyl(propyl)amino]phenyl]but-3-enoic acid CAS Name: (E)-4-[4-[carbamothioyl(propyl)amino]phenyl]-3-butenoic acid IUPAC Name: (E)-4-[4-[carbamothioyl(propyl)amino]phenyl]but-3-enoic acid Traditional Name: (E)-4-[4-[propyl(thiocarbamoyl)amino]phenyl]but-3-enoic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c1-2-10-16(14(15)19)12-8-6-11(7-9-12)4-3-5-13(17)18/h3-4,6-9H,2,5,10H2,1H3,(H2,15,19)(H,17,18)/b4-3+