[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(1-ethylbenzotriazol-5-yl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(1-ethyl-5-benzotriazolyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(1-ethylbenzotriazol-5-yl)methanone Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4)N=N1

InChI

InChI=1S/C21H21N5OS/c1-2-26-18-10-9-14(12-17(18)23-24-26)21(27)25-11-5-6-15(13-25)20-22-16-7-3-4-8-19(16)28-20/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3/t15-/m1/s1