4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S3/c25-20(8-5-15-28-21-23-18-6-1-2-7-19(18)29-21)22-16-9-11-17(12-10-16)30(26,27)24-13-3-4-14-24/h1-2,6-7,9-12H,3-5,8,13-15H2,(H,22,25)