diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl]ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-4-24(5-2)14-15-25(20(26)16-17-10-7-6-8-11-17)22-23-21-18(27-3)12-9-13-19(21)28-22/h6-13H,4-5,14-16H2,1-3H3/p+1