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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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