diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[[2-(methylthio)phenyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[2-(methylthio)benzoyl]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(C=CC=C2S1)C)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H27N3OS2/c1-5-24(6-2)14-15-25(21(26)17-11-7-8-12-18(17)27-4)22-23-20-16(3)10-9-13-19(20)28-22/h7-13H,5-6,14-15H2,1-4H3/p+1