3-chloranyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2S)-2-(5-methyl-2-furyl)-2-(1-piperidyl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidinyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidino-ethyl]benzothiophene-2-carboxamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCCCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCCCC4

InChI

InChI=1S/C21H23ClN2O2S/c1-14-9-10-17(26-14)16(24-11-5-2-6-12-24)13-23-21(25)20-19(22)15-7-3-4-8-18(15)27-20/h3-4,7-10,16H,2,5-6,11-13H2,1H3,(H,23,25)/t16-/m0/s1