2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)propanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(3-nitrophenyl)propionamide Formula: C16H12ClN3O3S2 MolecularWeight: 393.86778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H12ClN3O3S2/c1-9(15(21)18-11-3-2-4-12(8-11)20(22)23)24-16-19-13-7-10(17)5-6-14(13)25-16/h2-9H,1H3,(H,18,21)