[6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl-(2-dimethylaminoethyl)-dimethyl-azanium

Systemtic Name: [6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl-(2-dimethylaminoethyl)-dimethyl-azanium Openeye Name: [6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl-(2-dimethylaminoethyl)-dimethyl-ammonium CAS Name: [[[6-[(2-chloro-6-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]-(2-dimethylaminoethyl)-dimethylammonium IUPAC Name: [6-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl-(2-dimethylaminoethyl)-dimethylazanium Traditional Name: [6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl-(2-dimethylaminoethyl)-dimethyl-ammonium Formula: C22H27ClN5O2S+ MolecularWeight: 461.00008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)[N+](C)(C)CCN(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)[N+](C)(C)CCN(C)C

InChI

InChI=1S/C22H26ClN5O2S/c1-14-7-6-8-16(23)19(14)25-20(29)15-9-10-17-18(13-15)31-21(24-17)26-22(30)28(4,5)12-11-27(2)3/h6-10,13H,11-12H2,1-5H3,(H-,24,25,26,29,30)/p+1