N-(2-azanylcyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-(2-thiophen-2-ylethanoylamino)benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-(2-thiophen-2-ylethanoylamino)benzamide Openeye Name: N-(2-aminocyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-[[2-(2-thienyl)acetyl]amino]benzamide CAS Name: N-(2-aminocyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(1-oxo-2-thiophen-2-ylethyl)amino]benzamide IUPAC Name: N-(2-aminocyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(2-thiophen-2-ylacetyl)amino]benzamide Traditional Name: N-(2-aminocyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-[[2-(2-thienyl)acetyl]amino]benzamide Formula: C29H36N4O2S MolecularWeight: 504.68674

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)NC3CCCCC3N)NC(=O)CC4=CC=CS4

Isomeric SMILES

CN(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)NC3CCCCC3N)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C29H36N4O2S/c1-33(16-15-21-8-3-2-4-9-21)20-23-14-13-22(29(35)32-26-12-6-5-11-25(26)30)18-27(23)31-28(34)19-24-10-7-17-36-24/h2-4,7-10,13-14,17-18,25-26H,5-6,11-12,15-16,19-20,30H2,1H3,(H,31,34)(H,32,35)