2-[[2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoate

Systemtic Name: 2-[[2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoate Openeye Name: 2-[[2-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoate CAS Name: 2-[[[2-[[2-(4-acetylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoate IUPAC Name: 2-[[2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoate Traditional Name: 2-[[2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]carbamoyl]benzoate Formula: C25H18N3O5S2- MolecularWeight: 504.55752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C25H19N3O5S2/c1-14(29)15-6-8-16(9-7-15)26-22(30)13-34-25-28-20-11-10-17(12-21(20)35-25)27-23(31)18-4-2-3-5-19(18)24(32)33/h2-12H,13H2,1H3,(H,26,30)(H,27,31)(H,32,33)/p-1