N-(2-azanylcyclohexyl)-4-[[4-(phenylmethyl)piperidin-1-yl]methyl]-3-(2-thiophen-2-ylethanoylamino)benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-4-[[4-(phenylmethyl)piperidin-1-yl]methyl]-3-(2-thiophen-2-ylethanoylamino)benzamide Openeye Name: N-(2-aminocyclohexyl)-4-[(4-benzyl-1-piperidyl)methyl]-3-[[2-(2-thienyl)acetyl]amino]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-[[4-(phenylmethyl)-1-piperidinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-4-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-thiophen-2-ylacetyl)amino]benzamide Traditional Name: N-(2-aminocyclohexyl)-4-[(4-benzylpiperidino)methyl]-3-[[2-(2-thienyl)acetyl]amino]benzamide Formula: C32H40N4O2S MolecularWeight: 544.7506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCC(CC3)CC4=CC=CC=C4)NC(=O)CC5=CC=CS5

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCC(CC3)CC4=CC=CC=C4)NC(=O)CC5=CC=CS5

InChI

InChI=1S/C32H40N4O2S/c33-28-10-4-5-11-29(28)35-32(38)25-12-13-26(30(20-25)34-31(37)21-27-9-6-18-39-27)22-36-16-14-24(15-17-36)19-23-7-2-1-3-8-23/h1-3,6-9,12-13,18,20,24,28-29H,4-5,10-11,14-17,19,21-22,33H2,(H,34,37)(H,35,38)