diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]ethyl]ammonium Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS2/c1-4-24(5-2)13-14-25(21(26)16-27-18-9-7-6-8-10-18)22-23-19-12-11-17(3)15-20(19)28-22/h6-12,15H,4-5,13-14,16H2,1-3H3/p+1