N-[[4-(aminomethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)-3-(2-thiophen-2-ylethanoylamino)benzamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)-3-(2-thiophen-2-ylethanoylamino)benzamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-4-(1-piperidylmethyl)-3-[[2-(2-thienyl)acetyl]amino]benzamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-(1-piperidinylmethyl)benzamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide Traditional Name: N-[4-(aminomethyl)benzyl]-4-(piperidinomethyl)-3-[[2-(2-thienyl)acetyl]amino]benzamide Formula: C27H32N4O2S MolecularWeight: 476.63358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C27H32N4O2S/c28-17-20-6-8-21(9-7-20)18-29-27(33)22-10-11-23(19-31-12-2-1-3-13-31)25(15-22)30-26(32)16-24-5-4-14-34-24/h4-11,14-15H,1-3,12-13,16-19,28H2,(H,29,33)(H,30,32)