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

Systemtic Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[[3-(methylthio)phenyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[3-(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(S1)C=C(C=C2)C)C(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

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

InChI

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