[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C24H19N3O4S2 MolecularWeight: 477.55536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C24H19N3O4S2/c25-22(29)16-9-11-18(12-10-16)26-21(28)13-31-23(30)17-7-5-15(6-8-17)14-32-24-27-19-3-1-2-4-20(19)33-24/h1-12H,13-14H2,(H2,25,29)(H,26,28)