3-(1,3-benzodioxol-5-yl)-3-(phenylcarbamothioylamino)propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(phenylcarbamothioylamino)propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(phenylcarbamothioylamino)propanoic acid CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-3-(1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(phenylcarbamothioylamino)propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(phenylthiocarbamoylamino)propionic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O4S/c20-16(21)9-13(11-6-7-14-15(8-11)23-10-22-14)19-17(24)18-12-4-2-1-3-5-12/h1-8,13H,9-10H2,(H,20,21)(H2,18,19,24)