2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl-diethylazanium Traditional Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]ethyl-diethyl-ammonium Formula: C20H25N4O4S+ MolecularWeight: 417.5019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC(=CC(=C2S1)C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC(=CC(=C2S1)C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-5-22(6-2)9-10-23(19(25)16-7-8-17(28-16)24(26)27)20-21-15-12-13(3)11-14(4)18(15)29-20/h7-8,11-12H,5-6,9-10H2,1-4H3/p+1