4-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(4-sulfamoylphenyl)ethyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(4-sulfamoylphenyl)ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(4-sulfamoylphenyl)ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[1-(4-sulfamoylphenyl)ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(4-sulfamoylphenyl)ethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[1-(4-sulfamoylphenyl)ethyl]butyramide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3O3S3/c1-13(14-8-10-15(11-9-14)28(20,24)25)21-18(23)7-4-12-26-19-22-16-5-2-3-6-17(16)27-19/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,21,23)(H2,20,24,25)