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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(5-nitrothiophene-2-carbonyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(5-nitro-2-thiophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(5-nitrothiophene-2-carbonyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(5-nitrothiophene-2-carbonyl)amino]ethyl-diethyl-ammonium Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S2/c1-3-20(4-2)11-12-21(17(23)15-9-10-16(26-15)22(24)25)18-19-13-7-5-6-8-14(13)27-18/h5-10H,3-4,11-12H2,1-2H3/p+1