2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-1-ethanoyl-pyrrolidine-2-carbonitrile dihydrochloride

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-1-ethanoyl-pyrrolidine-2-carbonitrile dihydrochloride Openeye Name: 1-acetyl-2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]pyrrolidine-2-carbonitrile dihydrochloride CAS Name: 1-acetyl-2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-2-pyrrolidinecarbonitrile dihydrochloride IUPAC Name: 1-acetyl-2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]pyrrolidine-2-carbonitrile dihydrochloride Traditional Name: 1-acetyl-2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]pyrrolidine-2-carbonitrile dihydrochloride Formula: C16H21Cl2N5OS MolecularWeight: 402.34184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1(C#N)NCCNC2=NC3=CC=CC=C3S2.Cl.Cl

Isomeric SMILES

CC(=O)N1CCCC1(C#N)NCCNC2=NC3=CC=CC=C3S2.Cl.Cl

InChI

InChI=1S/C16H19N5OS.2ClH/c1-12(22)21-10-4-7-16(21,11-17)19-9-8-18-15-20-13-5-2-3-6-14(13)23-15;;/h2-3,5-6,19H,4,7-10H2,1H3,(H,18,20);2*1H