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

Systemtic Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[[2-(methylthio)phenyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[2-(methylthio)benzoyl]amino]ethyl]ammonium Formula: C22H28N3OS2+ MolecularWeight: 414.60722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC=CC=C3SC

InChI

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