diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methylphenyl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methylphenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(4-methylphenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-p-toluoyl-amino]ethyl]ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-5-24(6-2)13-14-25(21(26)17-9-7-16(3)8-10-17)22-23-19-12-11-18(27-4)15-20(19)28-22/h7-12,15H,5-6,13-14H2,1-4H3/p+1