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

Systemtic Name: [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Openeye Name: [(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-(1-ethylbenzotriazol-5-yl)methanone CAS Name: [(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(1-ethyl-5-benzotriazolyl)methanone IUPAC Name: [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Traditional Name: [(2R)-2-(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)N3CCCCC3C4=NC5=CC=CC=C5S4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCCC[C@@H]3C4=NC5=CC=CC=C5S4)N=N1

InChI

InChI=1S/C21H21N5OS/c1-2-26-17-11-10-14(13-16(17)23-24-26)21(27)25-12-6-5-8-18(25)20-22-15-7-3-4-9-19(15)28-20/h3-4,7,9-11,13,18H,2,5-6,8,12H2,1H3/t18-/m1/s1