3-(1-benzothiophen-3-yl)-2-(phenylcarbamothioylamino)propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-(phenylcarbamothioylamino)propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-(phenylcarbamothioylamino)propanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-(1-benzothiophen-3-yl)propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-(phenylcarbamothioylamino)propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-(phenylthiocarbamoylamino)propionic acid Formula: C18H16N2O2S2 MolecularWeight: 356.46184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(CC2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(CC2=CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H16N2O2S2/c21-17(22)15(20-18(23)19-13-6-2-1-3-7-13)10-12-11-24-16-9-5-4-8-14(12)16/h1-9,11,15H,10H2,(H,21,22)(H2,19,20,23)