[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-(1-ethyl-5-benzotriazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazino]-(1-ethylbenzotriazol-5-yl)methanone Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4)N=N1

InChI

InChI=1S/C21H22N6OS/c1-2-27-18-8-7-15(13-17(18)23-24-27)21(28)26-11-9-25(10-12-26)14-20-22-16-5-3-4-6-19(16)29-20/h3-8,13H,2,9-12,14H2,1H3