3-[1-(carbamothioylamino)-5-phenyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(carbamothioylamino)-5-phenyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(carbamothioylamino)-5-phenyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(carbamothioylamino)-5-phenyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(carbamothioylamino)-5-phenylpyrrol-2-yl]propanoic acid Traditional Name: 3-(5-phenyl-1-thioureido-pyrrol-2-yl)propionic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(N2NC(=S)N)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(N2NC(=S)N)CCC(=O)O

InChI

InChI=1S/C14H15N3O2S/c15-14(20)16-17-11(7-9-13(18)19)6-8-12(17)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,18,19)(H3,15,16,20)