[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone Openeye Name: [4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone CAS Name: [4-[1,3-benzothiazol-6-yl(oxo)methyl]-1-piperazinyl]-(2-phenylcyclopropyl)methanone IUPAC Name: [4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone Traditional Name: [4-(1,3-benzothiazole-6-carbonyl)piperazino]-(2-phenylcyclopropyl)methanone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC2C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CN(CCN1C(=O)C2CC2C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H21N3O2S/c26-21(16-6-7-19-20(12-16)28-14-23-19)24-8-10-25(11-9-24)22(27)18-13-17(18)15-4-2-1-3-5-15/h1-7,12,14,17-18H,8-11,13H2