3-phenyl-2-[[3-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoylamino]phenyl]amino]propanoic acid

Systemtic Name: 3-phenyl-2-[[3-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoylamino]phenyl]amino]propanoic acid Openeye Name: 3-phenyl-2-[3-[(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoylamino]anilino]propanoic acid CAS Name: 2-[3-[[oxo-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methyl]amino]anilino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[3-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoylamino]anilino]propanoic acid Traditional Name: 3-phenyl-2-[3-[(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoylamino]anilino]propionic acid Formula: C23H20N4O3S2 MolecularWeight: 464.5599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC(=C2)NC(=O)NC3=CC4=C(C=C3)NC(=S)S4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC(=C2)NC(=O)NC3=CC4=C(C=C3)NC(=S)S4

InChI

InChI=1S/C23H20N4O3S2/c28-21(29)19(11-14-5-2-1-3-6-14)24-15-7-4-8-16(12-15)25-22(30)26-17-9-10-18-20(13-17)32-23(31)27-18/h1-10,12-13,19,24H,11H2,(H,27,31)(H,28,29)(H2,25,26,30)