1-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(5-bromo-2-thienyl)acryloyl]isonipecotamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C20H21BrN2O2S/c21-18-8-6-17(26-18)7-9-19(24)23-12-10-16(11-13-23)20(25)22-14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,22,25)/b9-7+