2-[1,3-benzothiazol-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(2-thienyl)acryloyl]amino]ethyl-diethyl-ammonium Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H23N3OS2/c1-3-22(4-2)13-14-23(19(24)12-11-16-8-7-15-25-16)20-21-17-9-5-6-10-18(17)26-20/h5-12,15H,3-4,13-14H2,1-2H3/p+1/b12-11+