4-[2-[2-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]ethylamino]-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]ethylamino]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-[(2-oxo-2-pyrrolidin-1-yl-ethyl)amino]ethylamino]thiazol-4-yl]benzonitrile CAS Name: 4-[2-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]amino]ethylamino]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethylamino]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-[2-[(2-keto-2-pyrrolidino-ethyl)amino]ethylamino]thiazol-4-yl]benzonitrile Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CNCCNC2=NC(=CS2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C1)C(=O)CNCCNC2=NC(=CS2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H21N5OS/c19-11-14-3-5-15(6-4-14)16-13-25-18(22-16)21-8-7-20-12-17(24)23-9-1-2-10-23/h3-6,13,20H,1-2,7-10,12H2,(H,21,22)