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

Systemtic Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrophenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[(4-nitrophenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl]ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-4-23(5-2)13-14-24(20(26)16-9-11-17(12-10-16)25(27)28)21-22-19-15(3)7-6-8-18(19)29-21/h6-12H,4-5,13-14H2,1-3H3/p+1