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

Systemtic Name: ethyl 4-[[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate CAS Name: 4-[[oxo-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate Traditional Name: 4-[[4-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoic acid ethyl ester Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S2/c1-2-30-23(29)17-9-13-19(14-10-17)26-22(28)16-7-11-18(12-8-16)25-15-27-20-5-3-4-6-21(20)32-24(27)31/h3-14,25H,2,15H2,1H3,(H,26,28)