4-chloranyl-N-[2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-chloranyl-N-[2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-chloro-N-[2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-chloro-N-[2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-chloro-N-[2-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-chloro-N-[2-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H15ClN4O4S2 MolecularWeight: 498.9619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN4O4S2/c23-14-6-4-13(5-7-14)21(29)25-16-8-9-18-19(11-16)33-22(26-18)32-12-20(28)24-15-2-1-3-17(10-15)27(30)31/h1-11H,12H2,(H,24,28)(H,25,29)