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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-(1-pyrrolidinyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(2-pyrrolidinophenyl)butyramide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c25-20(22-16-8-1-3-10-18(16)24-13-5-6-14-24)12-7-15-26-21-23-17-9-2-4-11-19(17)27-21/h1-4,8-11H,5-7,12-15H2,(H,22,25)