methyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate CAS Name: 4-[[oxo-[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate Traditional Name: 4-[[3-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoic acid methyl ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NCN3C4=CC=CC=C4SC3=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NCN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C23H19N3O3S2/c1-29-22(28)15-9-11-17(12-10-15)25-21(27)16-5-4-6-18(13-16)24-14-26-19-7-2-3-8-20(19)31-23(26)30/h2-13,24H,14H2,1H3,(H,25,27)