4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-N-phenyl-piperidine-1-carboxamide Formula: C21H19ClFN3O2S MolecularWeight: 431.910863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H19ClFN3O2S/c22-18-16-7-6-13(23)12-17(16)29-19(18)20(27)24-15-8-10-26(11-9-15)21(28)25-14-4-2-1-3-5-14/h1-7,12,15H,8-11H2,(H,24,27)(H,25,28)