4-(1,3-benzothiazol-2-ylmethyl)-1-[3,4-bis(fluoranyl)phenyl]carbonyl-N-methyl-piperazine-2-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-[3,4-bis(fluoranyl)phenyl]carbonyl-N-methyl-piperazine-2-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-difluorobenzoyl)-N-methyl-piperazine-2-carboxamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-[(3,4-difluorophenyl)-oxomethyl]-N-methyl-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-difluorobenzoyl)-N-methylpiperazine-2-carboxamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-difluorobenzoyl)-N-methyl-piperazine-2-carboxamide Formula: C21H20F2N4O2S MolecularWeight: 430.470906

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)C2=CC(=C(C=C2)F)F)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)C2=CC(=C(C=C2)F)F)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20F2N4O2S/c1-24-20(28)17-11-26(12-19-25-16-4-2-3-5-18(16)30-19)8-9-27(17)21(29)13-6-7-14(22)15(23)10-13/h2-7,10,17H,8-9,11-12H2,1H3,(H,24,28)