3-[3-[[[3-(carbamothioylamino)phenyl]carbonylamino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[[3-(carbamothioylamino)phenyl]carbonylamino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[[3-(carbamothioylamino)benzoyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[[3-(carbamothioylamino)phenyl]-oxomethyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[[3-(carbamothioylamino)benzoyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(3-thioureidobenzoyl)amino]methyl]phenyl]propionic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)N)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)N)CCC(=O)O

InChI

InChI=1S/C18H19N3O3S/c19-18(25)21-15-6-2-5-14(10-15)17(24)20-11-13-4-1-3-12(9-13)7-8-16(22)23/h1-6,9-10H,7-8,11H2,(H,20,24)(H,22,23)(H3,19,21,25)