2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[1-oxo-4-(phenylthio)butyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[4-(phenylthio)butanoyl]amino]ethyl-diethyl-ammonium Formula: C25H34N3O2S2+ MolecularWeight: 472.68636

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2S2/c1-4-27(5-2)16-17-28(24(29)13-10-18-31-21-11-8-7-9-12-21)25-26-22-15-14-20(30-6-3)19-23(22)32-25/h7-9,11-12,14-15,19H,4-6,10,13,16-18H2,1-3H3/p+1