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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)-3-(2-thiophen-2-ylethanoylamino)benzamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)-3-[[2-(2-thienyl)acetyl]amino]benzamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-(1-pyrrolidinylmethyl)benzamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide Traditional Name: N-[4-(aminomethyl)benzyl]-4-(pyrrolidinomethyl)-3-[[2-(2-thienyl)acetyl]amino]benzamide Formula: C26H30N4O2S MolecularWeight: 462.607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C26H30N4O2S/c27-16-19-5-7-20(8-6-19)17-28-26(32)21-9-10-22(18-30-11-1-2-12-30)24(14-21)29-25(31)15-23-4-3-13-33-23/h3-10,13-14H,1-2,11-12,15-18,27H2,(H,28,32)(H,29,31)