2-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-4-pyrrolidin-1-yl-butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-4-pyrrolidin-1-yl-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-pyrrolidin-1-yl-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-4-oxo-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-(1-pyrrolidinyl)butanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-4-pyrrolidin-1-ylbutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-keto-2-(2-keto-2-pyrrolidino-ethyl)-4-pyrrolidino-butyronitrile Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC(CC(=O)N2CCCC2)(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)CC(CC(=O)N2CCCC2)(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4O2S/c22-15-21(13-18(26)24-9-3-4-10-24,14-19(27)25-11-5-6-12-25)20-23-16-7-1-2-8-17(16)28-20/h1-2,7-8H,3-6,9-14H2