3-[bis(2-phenylethanoyl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[bis(2-phenylethanoyl)carbamothioylamino]benzoic acid Openeye Name: 3-[bis(2-phenylacetyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[bis(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[bis(2-phenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 3-[bis(2-phenylacetyl)thiocarbamoylamino]benzoic acid Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N(C(=O)CC2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N(C(=O)CC2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H20N2O4S/c27-21(14-17-8-3-1-4-9-17)26(22(28)15-18-10-5-2-6-11-18)24(31)25-20-13-7-12-19(16-20)23(29)30/h1-13,16H,14-15H2,(H,25,31)(H,29,30)