2-nitro-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-nitro-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-(2-anilino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: N-[2-[(2-anilino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: N-[2-[(2-anilino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C22H16N4O4S2 MolecularWeight: 464.51684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O4S2/c27-20(23-14-6-2-1-3-7-14)13-31-22-25-17-11-10-15(12-19(17)32-22)24-21(28)16-8-4-5-9-18(16)26(29)30/h1-12H,13H2,(H,23,27)(H,24,28)