[4-(2,1,3-benzothiadiazol-5-ylcarbonyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-5-ylcarbonyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazole-5-carbonyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone CAS Name: [4-[2,1,3-benzothiadiazol-5-yl(oxo)methyl]-1-piperazinyl]-(2-phenylcyclopropyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazole-5-carbonyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone Traditional Name: (2-phenylcyclopropyl)-[4-(piazthiole-5-carbonyl)piperazino]methanone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC2C3=CC=CC=C3)C(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2CC2C3=CC=CC=C3)C(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H20N4O2S/c26-20(15-6-7-18-19(12-15)23-28-22-18)24-8-10-25(11-9-24)21(27)17-13-16(17)14-4-2-1-3-5-14/h1-7,12,16-17H,8-11,13H2