1-[2-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-[2-[(4-phenylthiazol-2-yl)amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: 1-[1-oxo-2-[2-[(4-phenyl-2-thiazolyl)amino]ethylamino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-[2-[(4-phenylthiazol-2-yl)amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCCNC2=NC(=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)CNCCNC2=NC(=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H21N5OS/c19-11-15-7-4-10-23(15)17(24)12-20-8-9-21-18-22-16(13-25-18)14-5-2-1-3-6-14/h1-3,5-6,13,15,20H,4,7-10,12H2,(H,21,22)