4-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]butyramide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C21H25N3OS2/c25-20(10-5-11-21-23-16-7-1-2-8-18(16)27-21)22-15-17(19-9-6-14-26-19)24-12-3-4-13-24/h1-2,6-9,14,17H,3-5,10-13,15H2,(H,22,25)