methyl-[(6-nitro-3-phenyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: methyl-[(6-nitro-3-phenyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: methyl-[(6-nitro-3-phenyl-2-thioxo-benzimidazol-1-yl)methyl]-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: methyl-[(6-nitro-3-phenyl-2-sulfanylidene-1-benzimidazolyl)methyl]-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: methyl-[(6-nitro-3-phenyl-2-sulfanylidenebenzimidazol-1-yl)methyl]-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [2-keto-2-(propylamino)ethyl]-methyl-[(6-nitro-3-phenyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium Formula: C20H24N5O3S+ MolecularWeight: 414.50126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CN1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=S)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C[NH+](C)CN1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=S)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O3S/c1-3-11-21-19(26)13-22(2)14-23-18-12-16(25(27)28)9-10-17(18)24(20(23)29)15-7-5-4-6-8-15/h4-10,12H,3,11,13-14H2,1-2H3,(H,21,26)/p+1