3-chloranyl-6-fluoranyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-3-chloro-6-fluoro-benzothiophene-2-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-3-chloro-6-fluoro-benzothiophene-2-carboxamide Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClFN3O2S/c23-20-17-7-6-14(24)12-18(17)30-21(20)22(29)26-16-8-10-27(11-9-16)13-19(28)25-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2,(H,25,28)(H,26,29)