4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[3-(diethylsulfamoyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[3-(diethylsulfamoyl)phenyl]butyramide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3O3S3/c1-3-24(4-2)30(26,27)17-10-7-9-16(15-17)22-20(25)13-8-14-28-21-23-18-11-5-6-12-19(18)29-21/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,25)