ethyl-[(3-methyl-6-sulfamoyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[(3-methyl-6-sulfamoyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(3-methyl-6-sulfamoyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium CAS Name: ethyl-[(3-methyl-6-sulfamoyl-2-sulfanylidene-1-benzimidazolyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(3-methyl-6-sulfamoyl-2-sulfanylidenebenzimidazol-1-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(3-methyl-6-sulfamoyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium Formula: C18H23N4O2S2+ MolecularWeight: 391.53082

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N)N(C2=S)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N)N(C2=S)C

InChI

InChI=1S/C18H22N4O2S2/c1-3-21(12-14-7-5-4-6-8-14)13-22-17-11-15(26(19,23)24)9-10-16(17)20(2)18(22)25/h4-11H,3,12-13H2,1-2H3,(H2,19,23,24)/p+1