3,4-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-sulfamoyl-benzamide

Systemtic Name: 3,4-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-sulfamoyl-benzamide Openeye Name: 3,4-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-sulfamoyl-benzamide CAS Name: 3,4-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-sulfamoylbenzamide IUPAC Name: 3,4-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-sulfamoylbenzamide Traditional Name: 3,4-dimethyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-sulfamoyl-benzamide Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)N)C

InChI

InChI=1S/C17H17N3O3S3/c1-9-6-11(7-15(10(9)2)26(18,22)23)16(21)19-12-4-5-13-14(8-12)25-17(20-13)24-3/h4-8H,1-3H3,(H,19,21)(H2,18,22,23)