4-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O2S/c23-16-8-10-17(11-9-16)24-22(29)27-14-12-26(13-15-27)21(28)7-3-6-20-25-18-4-1-2-5-19(18)30-20/h1-2,4-5,8-11H,3,6-7,12-15H2,(H,24,29)