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

Systemtic Name: 2-[[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoate Openeye Name: 2-[[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoate CAS Name: 2-[oxo-[[2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,3-benzothiazol-6-yl]amino]methyl]benzoate IUPAC Name: 2-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoate Traditional Name: 2-[[2-[[2-(benzylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]carbamoyl]benzoate Formula: C24H18N3O4S2- MolecularWeight: 476.54742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O4S2/c28-21(25-13-15-6-2-1-3-7-15)14-32-24-27-19-11-10-16(12-20(19)33-24)26-22(29)17-8-4-5-9-18(17)23(30)31/h1-12H,13-14H2,(H,25,28)(H,26,29)(H,30,31)/p-1