4-(phenylmethylsulfanyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(phenylmethylsulfanyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-benzylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(phenylmethylthio)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butyramide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H19N3O3S3/c19-27(23,24)14-8-9-15-16(11-14)26-18(20-15)21-17(22)7-4-10-25-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H2,19,23,24)(H,20,21,22)