N-[3-[(4-bromophenyl)-piperidin-1-yl-methyl]-5-ethyl-thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-[(4-bromophenyl)-piperidin-1-yl-methyl]-5-ethyl-thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-bromophenyl)-(1-piperidyl)methyl]-5-ethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[3-[(4-bromophenyl)-(1-piperidinyl)methyl]-5-ethyl-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[(4-bromophenyl)-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-bromophenyl)-piperidino-methyl]-5-ethyl-2-thienyl]-2-furamide Formula: C23H25BrN2O2S MolecularWeight: 473.4258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CO2)C(C3=CC=C(C=C3)Br)N4CCCCC4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CO2)C(C3=CC=C(C=C3)Br)N4CCCCC4

InChI

InChI=1S/C23H25BrN2O2S/c1-2-18-15-19(23(29-18)25-22(27)20-7-6-14-28-20)21(26-12-4-3-5-13-26)16-8-10-17(24)11-9-16/h6-11,14-15,21H,2-5,12-13H2,1H3,(H,25,27)