diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]ethyl]ammonium Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

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