2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]acetamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C21H25N3O3S3/c1-4-24(5-2)30(26,27)19-12-16(11-10-15(19)3)22-20(25)13-28-14-21-23-17-8-6-7-9-18(17)29-21/h6-12H,4-5,13-14H2,1-3H3,(H,22,25)