2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]ethyl-diethyl-ammonium Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

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